Results for:
chemical Classification: thiocarbamides

4-amino-2-sulfanylidene-3H-indeno[2,1-g]pteridin-6-one

Compound Details

Synonymous names
Oprea1_198951
ZUNIHSGAWBXEMT-UHFFFAOYSA-N
9-Amino-7-mercapto-5,6,8,10-tetraaza-benzo[b]fluoren-11-one
AKOS037631841
4-Amino-2-sulfanyl-6H-indeno[2,1-g]pteridin-6-one #
Microorganism:

Yes

IUPAC name4-amino-2-sulfanylidene-3H-indeno[2,1-g]pteridin-6-one
SMILESC1=CC=C2C(=C1)C3=NC4=NC(=S)NC(=C4N=C3C2=O)N
InchiInChI=1S/C13H7N5OS/c14-11-9-12(18-13(20)17-11)16-7-5-3-1-2-4-6(5)10(19)8(7)15-9/h1-4H,(H3,14,16,17,18,20)
FormulaC13H7N5OS
PubChem ID5378128
Molweight281.29
LogP0.3
Atoms20
Bonds0
H-bond Acceptor4
H-bond Donor2
Chemical Classificationamines sulfur compounds thiocarbamides benzenoids heterocyclic compounds ketones nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


6-methyl-2-sulfanylidene-1H-pyrimidin-4-one

Compound Details

Synonymous names
methylthiouracil
6-Methyl-2-thiouracil
56-04-2
4-hydroxy-2-mercapto-6-methylpyrimidine
Thimecil
2-Mercapto-6-methylpyrimidin-4-ol
Methiocil
Alkiron
2-Thio-6-methyluracil
Thiomecil
Thiothymin
Metacil
Basethyrin
Prostrumyl
Thyreonorm
Thyreostat
Tiomeracil
Antibason
Basecil
Methacil
Methiacil
Methicil
Muracil
Orcanon
Strumacil
Thiomidil
Thioryl
Thiuryl
Tiotiron
Thyril
Thyreostat I
Tiorale M
6-Methylthiouracil
4-Methyl-2-thiouracil
4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-
6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
6-Thio-4-methyluracil
Usaf ek-6454
6-Methyl-2-mercaptouracil
Uracil, 6-methyl-2-thio-
6-methyl-2-sulfanylpyrimidin-4-ol
6-Methyl-2-thiouracyl
Rcra waste number U164
6-Metil-tiouracile
2-Mercapto-4-hydroxy-6-methylpyrimidine
2-Mercapto-6-methylpyrimid-4-one
2-Mercapto-6-methylpyrimidin-4(1H)-one
Thiothyron
Muracin
Methylthiouracil [INN]
2-Thio-6-methyl-1,3-pyrimidin-4-one
2-Thio-4-oxo-6-methyl-1,3-pyrimidine
2-Mercapto-6-methyl-4-pyrimidinol
NSC 193526
NSC-193526
MTU
2,3-Dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone
2-Mercapto-6-methyl-4-pyrimidone
91795-77-6
MLS000069452
6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
DTXSID2020890
6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CHEBI:82346
QW24888U5F
NSC-9378
NSC 43815
NCGC00091124-02
Methylthiouracil (INN)
SMR000059030
Methyl thiouracil
1123-10-0
Methacil (VAN)
Alkiron (VAN)
DTXCID60890
Metacil (VAN)
WLN: T6MYMVJ BUS F1
Metiltiouracile
Metiltiouracilo
Metiltiouracile [DCIT]
Methylthiouracile
Methylthiouracilum
CAS-56-04-2
6-Methyl-2-thio-2,3H)-pyrimidinedione
6-Methyl-2-(methylthio)-4(3H)-pyrimidinone; 6-Methyl-2-(methylthio)-4-hydroxypyrimidine; 6-Methyl-2-(methylthio)-4-pyrimidone; NSC 193525; NSC 37678
CCRIS 409
6-Metil-tiouracile [Italian]
Metiltiouracilo [INN-Spanish]
Methylthiouracile [INN-French]
Methylthiouracilum [INN-Latin]
6-Methyl-2-thiouracyl [Czech]
HSDB 3366
EINECS 200-252-3
4-Hydroxy-6-methyl-2-thiopyrimidine
RCRA waste no. U164
Methylthiouracil [USP:INN]
UNII-QW24888U5F
AI3-25476
6-Methyl-2-thio-2,4-(1H3H)-pyrimidinedione
6-Methyl-2-thio-2,4-(1H,3H)-pyrimidinedione
Thimecil (TN)
Prestwick_330
Methyl-6-thiouracil
6-Methyl-4-oxo-2-thioxo1,2,3,4-tetrahydropyrimidine
Spectrum_001031
Opera_ID_172
Spectrum2_001276
Spectrum3_000676
Spectrum4_000864
Spectrum5_001325
2-Thiouracil, 6-methyl-
6-?Methyl-?2-?thiouracil
BSPBio_002371
KBioGR_001527
KBioSS_001511
METHYLTHIOURACIL [MI]
MLS002415706
MLS004491793
DivK1c_000719
SCHEMBL159989
SPECTRUM1500408
SPBio_001272
METHYLTHIOURACIL [HSDB]
METHYLTHIOURACIL [IARC]
CHEMBL1330588
METHYLTHIOURACIL [MART.]
SCHEMBL11433163
URACIL,6-METHYL,2-THIO
HMS502D21
KBio1_000719
KBio2_001511
KBio2_004079
KBio2_006647
KBio3_001591
METHYLTHIOURACIL [WHO-DD]
NSC9378
NINDS_000719
HMS1757B09
HMS1923M13
HMS2091F08
HMS2231B20
HMS3370O12
HMS3652O03
KUC108906N
Pharmakon1600-01500408
BCP21374
HY-B0513
NSC 9378
STR00648
Tox21_111088
Tox21_201870
Tox21_300497
BBL013188
CCG-39119
MFCD00006040
NSC193526
NSC757116
s3138
STL163967
STL352586
STL352692
AKOS000119183
AKOS001015710
AKOS001777669
AKOS002663079
AKOS025117304
Tox21_111088_1
4-hydroxy-6-methyl-pyrimidine-2-thiol
AM87068
CCG-214821
DB13644
KSC-27-038
MCULE-5250952546
NSC-757116
PS-4510
6-methyl-2-thioxo-1H-pyrimidin-4-one
IDI1_000719
NCGC00091124-01
NCGC00091124-03
NCGC00091124-04
NCGC00091124-05
NCGC00091124-06
NCGC00093364-02
NCGC00178683-01
NCGC00254505-01
NCGC00259419-01
4-Hydroxy-2-mercapto-6-methyl pyrimidine
6-methyl-2-sulfanylpyrimidin-4(3H)-one
AC-10803
SBI-0051446.P003
4-hydroxy-6-methylpyrimidine-2(1h)-thione
EU-0095998
M0443
NS00000054
SW088218-2
EN300-16769
4-Hydroxy-2-mercapto-6-methylpyrimidine, 95%
6-Methyl-2-thio-2,4(1H,3H)-pyrimidinedione
C19265
D07231
A830898
AC-907/30003038
SR-05000002026
2,3-dihydro-6-methyl-2-thioxopyrimidin-4(1H)-one
4[1H]-Pyrimidinone, 2,3-dihydro-6-methyl-thioxo
6-Methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
Q6824062
SR-05000002026-1
W-105535
6-Methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone #
Z56771013
6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine
F0213-0019
F0827-0300
6-Methyl-2-thiouracil, VETRANAL(TM), analytical standard
6-Methyl-2-thiouracil, purum, >=98.0% S basis (elemental analysis)
InChI=1/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9
Microorganism:

Yes

IUPAC name6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCC1=CC(=O)NC(=S)N1
InchiInChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
FormulaC5H6N2OS
PubChem ID667493
Molweight142.18
LogP-0.2
Atoms9
Bonds0
H-bond Acceptor2
H-bond Donor2
Chemical Classificationamides nitrogen compounds sulfur compounds heterocyclic compounds thiocarbamides
CHEBI-ID82346
Supernatural-IDSN0137234

mVOC Specific Details

Volatilization
Due to a lack of data, the tendency for methylthiouracil to volatilize from water and moist near-surface soil cannot be estimated(SRC). Based upon a report that the compound readily sublimes(1), however, loss of methylthiouracil from surfaces and dry near-surface soil may occur via sublimation(SRC).
Soil Adsorption
Based upon a water solubility of 533.2 mg/l at 25 °C(1), a Koc of 138 can be calculated for methylthiouracil using a recommended regression equation(2,SRC). Based upon this estimated Koc, methylthiouracil will be expected to be highly mobile in soil(3,SRC) and will not be expected to significantly adsorb to soil, sediment or suspended particulate matter(3,SRC).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia ArborisNANAZhu et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia Arborisnutrient agar (NA) mediumUPLC-QTOF/MSno


Thiourea

Mass-Spectra

Compound Details

Synonymous names
THIOUREA
Thiocarbamide
62-56-6
2-Thiourea
Isothiourea
Pseudothiourea
Sulfourea
Thiuronium
Sulourea
2-Thiopseudourea
Thiocarbonic acid diamide
Urea, thio-
Carbamimidothioic acid
beta-Thiopseudourea
Thiomocovina
Urea, 2-thio-
Tsizp 34
Pseudourea, 2-thio-
Thioharnstoff
Thiokarbamid
USAF EK-497
carbonothioic diamide
Thiocarbamid
RCRA waste number U219
Sulfouren
Caswell No. 855
NSC 5033
CCRIS 588
aminothioamide
GYV9AM2QAG
thio-urea
UNII-GYV9AM2QAG
HSDB 1401
17356-08-0
aminothiocarboxamide
EINECS 200-543-5
H2NC(S)NH2
EPA Pesticide Chemical Code 080201
.beta.-Thiopseudourea
DTXSID9021348
CHEBI:36946
AI3-03582
NSC-5033
MFCD00008067
(NH2)2CS
CHEMBL260876
DTXCID101348
NSC5033
EC 200-543-5
THIOUREA (IARC)
THIOUREA [IARC]
TOU
Thiomocovina [Czech]
sulfocarbamide
RCRA waste no. U219
CAS-62-56-6
S C (N H2)2
PROPYLTHIOURACIL IMPURITY A (EP IMPURITY)
PROPYLTHIOURACIL IMPURITY A [EP IMPURITY]
THIOUREA, ACS
thiopseudourea
2-Thio-Pseudourea
Thiocarbonic diamide
2-Thio-Urea
beta -thiopseudourea
Urea, 2-thio
Caswell no 855
THIOCARBMATE
Thiourea, 99%
thiourea; thiocarbamide
THIOUREA [HSDB]
THIOUREA [INCI]
WLN: ZYZUS
THIOUREA [MI]
THIOUREA [VANDF]
Urea, thio- (8CI)
THIOUREA [WHO-DD]
Thiourea ACS Reagent Grade
Thiourea, LR, >=98%
MLS002454451
BIDD:ER0582
HMS2234E12
HMS3369M21
AMY40190
BCP27948
STR00054
Tox21_201873
Tox21_302767
BDBM50229993
STL194300
Thiourea, ACS reagent, >=99.0%
AKOS000269032
AKOS028109302
CCG-207963
MCULE-5046264236
UN 2877
Thiourea, ReagentPlus(R), >=99.0%
NCGC00091199-01
NCGC00091199-02
NCGC00091199-03
NCGC00256530-01
NCGC00259422-01
Thiourea, >=99.999% (metals basis)
BP-31025
SMR000857187
Thiourea, JIS special grade, >=98.0%
Thiourea, p.a., ACS reagent, 99.0%
NS00002781
T0445
T2475
T2835
EN300-19634
T-3650
10.14272/UMGDCJDMYOKAJW-UHFFFAOYSA-N.1
A833853
Q528995
Thiourea, puriss. p.a., ACS reagent, >=99.0%
doi:10.14272/UMGDCJDMYOKAJW-UHFFFAOYSA-N.1
J-524966
F0001-1650
Thiourea, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

No

IUPAC namethiourea
SMILESC(=S)(N)N
InchiInChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
FormulaCH4N2S
PubChem ID2723790
Molweight76.12
LogP-0.8
Atoms4
Bonds0
H-bond Acceptor1
H-bond Donor2
Chemical Classificationnitrogen compounds sulfur compounds thiocarbamides
CHEBI-ID36946
Supernatural-IDSN0374148

mVOC Specific Details

Boiling Point
DegreeReference
NA NA peer reviewed
Volatilization
The Henry's Law constant for thiourea is estimated as 1.1X10-13 atm-cu m/mole(SRC), derived from its vapor pressure, 1.41X10-7 mm Hg(1), and water solubility, 1.34X10+5 mg/L(2). This Henry's Law constant indicates that thiourea is expected to be essentially nonvolatile from water surfaces(3). Thiourea's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Thiourea is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Terenzi L, Piacente V; Thermochima Acta 235: 61-66 (1994) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed. Boca Raton, FL,: CRC Press p. 11 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method), thiourea had measured Koc values of 28, 26 and 36 in Alfisol (neutral loam), Spodosol (acidic sandy) and Entisol (slightly basic loam) soils respectively(1). A measured Koc value of 7 has also been reported(2). According to a classification scheme(3), these Koc values suggest that thiourea is expected to have very high mobility in soil. In soil column adsorption studies using five Eurosoils, thiourea was used as a tracer due to its minimum interaction with the solid matrix and had Kd values of 0.00 in all five soils(4).
Literature: (1) ECHA; Search for Chemicals. Thiourea (CAS 62-56-6) Registered Substances Dossier. European Chemical Agency. Available from, as of Mar 2, 2015: http://echa.europa.eu/ (2) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Bi E et al; Environ Sci Technol 40: 5962-70 (2006)
Vapor Pressure
PressureReference
1.41X10-7 mm Hg at 25 deg CTerenzi L, Piacente V; Thermochima Acta 235: 61-66 (1994)
MS-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


1-(2-methoxyphenyl)-3-phenylthiourea

Compound Details

Synonymous names
1219-02-9
1-(2-methoxyphenyl)-3-phenylthiourea
NSC191410
Oprea1_520056
SCHEMBL17956756
DTXSID80364258
WSMHABKJPAZMKR-UHFFFAOYSA-N
HMS1762M09
AKOS001046838
N-phenyl N'-orthomethoxyphenyl thiourea
NSC-191410
N-(2-Methoxyphenyl)-N'-phenylthiourea #
1-(O-Methoxyphenyl)-3-phenyl-2-thiourea
AB00048987-01
Z45796187
Microorganism:

Yes

IUPAC name1-(2-methoxyphenyl)-3-phenylthiourea
SMILESCOC1=CC=CC=C1NC(=S)NC2=CC=CC=C2
InchiInChI=1S/C14H14N2OS/c1-17-13-10-6-5-9-12(13)16-14(18)15-11-7-3-2-4-8-11/h2-10H,1H3,(H2,15,16,18)
FormulaC14H14N2OS
PubChem ID1546275
Molweight258.34
LogP3.6
Atoms18
Bonds3
H-bond Acceptor2
H-bond Donor2
Chemical Classificationaromatic compounds benzenoids ethers nitrogen compounds sulfur compounds thiocarbamides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno


1-amino-3-prop-2-enylthiourea

Compound Details

Synonymous names
4-Allylthiosemicarbazide
3766-55-0
4-Allyl-3-thiosemicarbazide
N-Allylhydrazinecarbothioamide
Allylthiosemicarbazide
Hydrazinecarbothioamide, N-2-propenyl-
1-amino-3-prop-2-enylthiourea
N-Allylthiosemicarbazide
SEMICARBAZIDE, 4-ALLYL-3-THIO-
NSC 75830
1-amino-3-(prop-2-en-1-yl)thiourea
NSC-75830
Allythiosemicarbazide
EINECS 223-186-7
BRN 1751645
C4H9N3S
ALLYL THIOSEMICARBAZIDE
NSC75830
FMA2DV4FPT
4-allyl-thiosemicarbazide
WLN: ZMYUS&M2U1
Hydrazinecarbothioamide, N-2-propenyl- (9CI)
SCHEMBL456759
N-Allylhydrazinecarbothioamide #
DTXSID80191081
ALBB-025600
4-(2-propenyl)-3-thiosemicarbazide
MFCD00007619
STK397858
AKOS000268202
AT24991
N-2-Propen-1-ylhydrazinecarbothioamide
SB86165
Hydrazinecarbothioamide, N-2-propen-1-yl-
N-(prop-2-en-1-yl)hydrazinecarbothioamide
DB-049161
CS-0206267
NS00030238
EN300-17012
Z56858230
F6660-0044
Microorganism:

No

IUPAC name1-amino-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NN
InchiInChI=1S/C4H9N3S/c1-2-3-6-4(8)7-5/h2H,1,3,5H2,(H2,6,7,8)
FormulaC4H9N3S
PubChem ID1551250
Molweight131.2
LogP-0.1
Atoms8
Bonds2
H-bond Acceptor2
H-bond Donor3
Chemical Classificationhydrazines nitrogen compounds sulfur compounds thiocarbamides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


1-amino-3-methylthiourea

Compound Details

Synonymous names
4-Methylthiosemicarbazide
6610-29-3
4-Methyl-3-thiosemicarbazide
N-METHYLHYDRAZINECARBOTHIOAMIDE
1-amino-3-methylthiourea
Hydrazinecarbothioamide, N-methyl-
Methylthiosemicarbazide
Semicarbazide, 4-methyl-3-thio-
1-Methyl-2-thiosemicarbazide
N-Methylthiosemicarbazide
B 1130
4-METHYL THIOSEMICARBAZIDE
DTXSID7044390
MFCD00007617
PK83E1T776
NSC-56911
4-Methylhydrazinecarbothioamide
3-amino-1-methylthiourea
EINECS 229-563-2
NSC 56911
UNII-PK83E1T776
4methylthiosemicarbazide
4-methylthiosemicarbazid
4-Methylthiosemicarbazone
N-methyl-thiosemicarbazide
4-methyl-thiosemicarbazide
EC 229-563-2
4-methyl-3-thiosemicarbazid
SCHEMBL379153
N-methylhydrazine carbothioamide
SCHEMBL8126729
CHEMBL3182946
DTXCID5024390
SCHEMBL16701346
N-Methylhydrazinecarbothioamide #
4-N-METHYLTHIOSEMICARBAZIDE
ALBB-013488
NSC56911
Tox21_302172
4-Methyl-3-thiosemicarbazide, 97%
BBL003412
STK803213
AKOS000119687
CS-W013678
NCGC00255773-01
SY006201
VS-01324
CAS-6610-29-3
DB-054868
A8934
M0289
NS00007927
EN300-20028
D77757
W-104771
Q15410214
F8881-5731
Microorganism:

Yes

IUPAC name1-amino-3-methylthiourea
SMILESCNC(=S)NN
InchiInChI=1S/C2H7N3S/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)
FormulaC2H7N3S
PubChem ID2723853
Molweight105.17
LogP-0.8
Atoms6
Bonds0
H-bond Acceptor2
H-bond Donor3
Chemical Classificationnitrogen compounds sulfur compounds thiocarbamides

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno
Pectobacterium Carotovoruminoculated potato samplesGC-MSno


1-amino-3-octadecylthiourea

Compound Details

Synonymous names
6973-26-8
1-amino-3-octadecylthiourea
NSC44421
SCHEMBL11784133
N-octadecylhydrazinecarbothioamide
DTXSID60398652
HJDFNODKUDTBIV-UHFFFAOYSA-N
hydrazinecarbothioamide, N-octadecyl-
NSC-44421
Microorganism:

No

IUPAC name1-amino-3-octadecylthiourea
SMILESCCCCCCCCCCCCCCCCCCNC(=S)NN
InchiInChI=1S/C19H41N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(23)22-20/h2-18,20H2,1H3,(H2,21,22,23)
FormulaC19H41N3S
PubChem ID4032100
Molweight343.6
LogP8.1
Atoms23
Bonds17
H-bond Acceptor2
H-bond Donor3
Chemical Classificationhydrazines nitrogen compounds sulfur compounds thiocarbamides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno
Aspergillus Nigerinoculated potato samplesGC-MSno


4-ethoxy-6-methyl-1,3-diazinane-2-thione

Compound Details

Synonymous names
4-Ethoxy-6-methylhexahydropyrimidin-2-thione
VFRLWDZGXZCCIY-UHFFFAOYSA-N
4-Ethoxy-6-methyltetrahydro-2(1H)-pyrimidinethione #
Microorganism:

Yes

IUPAC name4-ethoxy-6-methyl-1,3-diazinane-2-thione
SMILESCCOC1CC(NC(=S)N1)C
InchiInChI=1S/C7H14N2OS/c1-3-10-6-4-5(2)8-7(11)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9,11)
FormulaC7H14N2OS
PubChem ID5371656
Molweight174.27
LogP0.9
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor2
Chemical Classificationethers heterocyclic compounds nitrogen compounds sulfur compounds thiocarbamides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


1-(carbamothioylamino)-3-methylurea

Compound Details

Synonymous names
N-(N-Methylformamidyl)-semithiocarbazide
JTQJGPPYYRLZEO-UHFFFAOYSA-N
AKOS006220941
2-(Aminocarbothioyl)-N-methylhydrazinecarboxamide #
Microorganism:

Yes

IUPAC name1-(carbamothioylamino)-3-methylurea
SMILESCNC(=O)NNC(=S)N
InchiInChI=1S/C3H8N4OS/c1-5-3(8)7-6-2(4)9/h1H3,(H3,4,6,9)(H2,5,7,8)
FormulaC3H8N4OS
PubChem ID5466604
Molweight148.19
LogP-1.1
Atoms9
Bonds0
H-bond Acceptor2
H-bond Donor4
Chemical Classificationcarbamides nitrogen compounds sulfur compounds thiocarbamides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno