chempirical

N-Butylhydrazinecarbothioamide

C5H13N3SCAS 6610-31-7147.24 g/mol

Open in Covalent MOL file
NSHNHNH2
Primary amineThiol

Properties

Molecular formula
C5H13N3S
Molar mass
147.24 g/mol
Exact mass
147.0830 Da
Melting point
74–74.5 °C
logP
0.54Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
3

Identifiers

CAS number
6610-31-7
SMILES
CCCCN=C(S)NN
InChIKey
KNGDMOLRXYKGAD-UHFFFAOYSA-N
InChI
InChI=1S/C5H13N3S/c1-2-3-4-7-5(9)8-6/h2-4,6H2,1H3,(H2,7,8,9)

Weigh it out

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

Names and synonyms

8 names
  • Hydrazinecarbothioamide, N-butyl-
  • Semicarbazide, 4-butyl-3-thio-
  • B 1133
  • 4-Butyl-3-thiosemicarbazide
  • 4-Butylthiosemicarbazide
  • N4-Butylthiosemicarbazide
  • 1-Amino-3-butylthiourea
  • 3-Amino-1-butylthiourea

Work with N-Butylhydrazinecarbothioamide

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,N'-Di-N-butylthiourea109-46-661 % similar 4-Allylthiosemicarbazide3766-55-044 % similar 4-Methyl-3-thiosemicarbazide6610-29-343 % similar Tetrahydropyrimidine-2-thione2055-46-142 % similar 4-Benzylthiosemicarbazide13431-41-941 % similar Dibutylurea1792-17-240 % similar Thiocarbohydrazide2231-57-440 % similar 4-Isopropylthiosemicarbazide13431-36-239 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook