chempirical

N-Cyclohexylthiourea

C7H14N2SCAS 5055-72-1158.26 g/mol

Open in Covalent MOL file
NHHSHN
Thiol

Properties

Molecular formula
C7H14N2S
Molar mass
158.26 g/mol
Exact mass
158.0878 Da
Melting point
161–162 °C
logP
1.77Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Identifiers

CAS number
5055-72-1
SMILES
N=C(S)NC1CCCCC1
InChIKey
LEEHHPPLIOFGSC-UHFFFAOYSA-N
InChI
InChI=1S/C7H14N2S/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)

Weigh it out

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

Names and synonyms

7 names
  • Thiourea, N-cyclohexyl-
  • Urea, 1-cyclohexyl-2-thio-
  • Thiourea, cyclohexyl-
  • Cyclohexylthiourea
  • 1-Cyclohexyl-2-thiourea
  • NSC 34636
  • 1-Cyclohexylthiourea

Work with N-Cyclohexylthiourea

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-(1-Methylethyl)thiourea1719-76-246 % similar Dicyclohexylthiourea1212-29-945 % similar N-Butylthiourea1516-32-139 % similar Dicyclohexylamine101-83-738 % similar Dithiourea142-46-138 % similar Dithiobiuret541-53-738 % similar N-Propylthiourea927-67-337 % similar Dicyclohexylurea2387-23-736 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook