Results for:
PubChem ID: 2723790

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