chempirical

N-(1-Methylethyl)thiourea

C4H10N2SCAS 1719-76-2118.20 g/mol

Open in Covalent MOL file
NHNHSH
Thiol

Properties

Molecular formula
C4H10N2S
Molar mass
118.20 g/mol
Exact mass
118.0565 Da
Melting point
169–170 °C
logP
0.85Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Identifiers

CAS number
1719-76-2
SMILES
CC(C)NC(=N)S
InChIKey
POXAIQSXNOEQGM-UHFFFAOYSA-N
InChI
InChI=1S/C4H10N2S/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)

Weigh it out

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

Names and synonyms

8 names
  • Thiourea, N-(1-methylethyl)-
  • Urea, 1-isopropyl-2-thio-
  • Thiourea, (1-methylethyl)-
  • Isopropylthiourea
  • N-Isopropylthiourea
  • 1-Isopropylthiourea
  • 1-iso-Propyl-2-thiourea
  • (Propan-2-yl)thiourea

Work with N-(1-Methylethyl)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

N-Cyclohexylthiourea5055-72-146 % similar Methylthiourea598-52-745 % similar Dithiourea142-46-145 % similar Dithiobiuret541-53-745 % similar N,N′-Bis(1-methylethyl)thiourea2986-17-641 % similar Thiosemicarbazide hydrochloride4346-94-540 % similar Ethylthiourea625-53-640 % similar N-(1,1-Dimethylethyl)thiourea7204-48-040 % similar

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

Same formula

Trimethylthiourea2489-77-2 N-Propylthiourea927-67-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook