chempirical

Thiourea

CH4N2SCAS 62-56-676.12 g/mol

Open in Covalent MOL file
NHH2NSH
Thiol

Properties

Molecular formula
CH4N2S
Molar mass
76.12 g/mol
Exact mass
76.0095 Da
Density
1.41 g/mL
Melting point
176–178 °C
logP
-0.19Crippen estimate
Polar surface area
49.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
62-56-6
SMILES
N=C(N)S
InChIKey
UMGDCJDMYOKAJW-UHFFFAOYSA-N
InChI
InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • Urea, thio-
  • Pseudourea, 2-thio-
  • Pseudourea (NH2.C(OH):NH), thio-
  • Thiocarbamide
  • THU
  • β-Thiopseudourea
  • 2-Thiourea
  • Pseudothiourea
  • Isothiourea
  • TsIZP 34
  • NSC 5033

Work with Thiourea

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Amidinothiourea2114-02-530 % similar 1-Methylhydrazinecarbothioamide6938-68-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ammonium thiocyanate1762-95-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia