Results for:
PubChem ID: 2723790

Thiourea

Mass-Spectra

Compound Details

Synonymous names
aminothiocarboxamide
aminothioamide
Pseudothiourea
sulfocarbamide
Carbamimidothioic acid
carbonothioic diamide
Thiocarbamide
Thioharnstoff
Thiokarbamid
Thiomocovina
beta-Thiopseudourea
Isothiourea
Thiuronium
Sulfourea
Sulfouren
Sulourea
THIOUREA
Thiourea Solution
UMGDCJDMYOKAJW-UHFFFAOYSA-N
Sulfourea, Thiocarbamide
Thiocarbonic acid diamide
Thiourea, pharmaceutical secondary standard
Thiurea
Thiocarbamide,Isothiourea,2-Thiourea
2-Thiopseudourea
Thiourea ACS
TOU
GYV9AM2QAG
thio urea
thio-urea
Ao uAoEO
2-Thiourea
UNII-GYV9AM2QAG
.beta.-Thiopseudourea
THIOUREA, ACS
AC1MC3M0
AC1Q50EE
Thiomocovina [Czech]
WLN: ZYZUS
KSC352S5L
S726
Tsizp 34
BIT4110
NSC5033
CCRIS 588
CTK0H6995
CTK2F2955
T0445
Thiourea, 99%
Urea, thio-
BIDD:ER0582
CHEMBL260876
H2NC(S)NH2
NE10552
RP18361
(NH2)2CS
C14415
HMS2234E12
HMS3369M21
HSDB 1401
RCRA waste number U219
DTXSID9021348
IN005622
IN017430
LS-1481
NSC 5033
NSC-5033
Pseudourea, 2-thio-
UN 2877
USAF EK-497
A833853
CHEBI:36946
DSSTox_CID_1348
T-3650
ZINC8437745
AB1002592
AB1009574
AN-41847
BP-31025
DSSTox_GSID_21348
KB-61643
SC-46882
TRA0065751
BDBM50229993
Caswell No. 855
DSSTox_RID_76101
MFCD00008067
Thiourea, LR, >=98%
Urea, 2-thio-
AI3-03582
CCG-207963
AKOS000269032
AKOS028109302
EPA Pesticide Chemical Code 080201
I14-7702
J-524966
RCRA waste no. U219
FT-0675198
MLS002454451
SMR000857187
3-Thienylacetic acid; Thiophen-3-yl-acetic acid
62-56-6
Tox21_201873
Tox21_302767
F0001-1650
Thiourea, ACS reagent, >=99.0%
CAS-62-56-6
Thiourea, 99% 100g
Thiourea, JIS special grade, >=98.0%
Urea, thio- (8CI)
MCULE-5046264236
NCGC00091199-01
NCGC00091199-02
NCGC00091199-03
NCGC00256530-01
NCGC00259422-01
EINECS 200-543-5
Thiourea, ReagentPlus(R), >=99.0%
17356-08-0
MolPort-000-872-069
Thiourea, >=99.999% (metals basis)
Thiourea, p.a., ACS reagent, 99.0%
Thiourea, puriss. p.a., ACS reagent, >=99.0%
Microorganism:

Yes

IUPAC namethiourea
SMILESC(=S)(N)N
InchiInChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
FormulaH2NCSNH2
PubChem ID2723790
Molweight76.12
LogP-0.47
Atoms8
Bonds7
H-bond Acceptor0
H-bond Donor2
Chemical Classificationthiocarbamides sulfur compounds nitrogen compounds

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)