Results for:
PubChem ID: 667493

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