chempirical

N-Butylthiourea

C5H12N2SCAS 1516-32-1132.22 g/mol

Open in Covalent MOL file
NHNHSH
Thiol

Properties

Molecular formula
C5H12N2S
Molar mass
132.22 g/mol
Exact mass
132.0721 Da
Melting point
79 °C
logP
1.24Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
3

Identifiers

CAS number
1516-32-1
SMILES
CCCCNC(=N)S
InChIKey
GMEGXJPUFRVCPX-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2S/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)

Weigh it out

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

Names and synonyms

7 names
  • Thiourea, N-butyl-
  • Urea, 1-butyl-2-thio-
  • Thiourea, butyl-
  • Butylthiourea
  • 1-Butyl-2-thiourea
  • 1-Butylthiourea
  • NSC 202953

Work with N-Butylthiourea

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-Propylthiourea927-67-375 % similar Butylurea592-31-456 % similar Ethylthiourea625-53-654 % similar N-Octadecylurea2158-08-948 % similar N,N'-Di-N-butylthiourea109-46-647 % similar N1,N2-Didodecylethanedithioamide120-88-743 % similar Dithiobiuret541-53-742 % similar Propylurea627-06-541 % similar

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

Same formula

N,N′-Diethylthiourea105-55-5 Tetramethylthiourea2782-91-4 N-(1,1-Dimethylethyl)thiourea7204-48-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook