chempirical

4-Isopropylthiosemicarbazide

C4H11N3SCAS 13431-36-2133.21 g/mol

Open in Covalent MOL file
NSHNHNH2
Primary amineThiol

Properties

Molecular formula
C4H11N3S
Molar mass
133.21 g/mol
Exact mass
133.0674 Da
Melting point
82–83 °C
logP
0.14Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Identifiers

CAS number
13431-36-2
SMILES
CC(C)N=C(S)NN
InChIKey
WMFXGKCDSJXKHO-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N3S/c1-3(2)6-4(8)7-5/h3H,5H2,1-2H3,(H2,6,7,8)

Weigh it out

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

Names and synonyms

8 names
  • Hydrazinecarbothioamide, N-(1-methylethyl)-
  • Semicarbazide, 4-isopropyl-3-thio-
  • N-(1-Methylethyl)hydrazinecarbothioamide
  • B 1132
  • 4-Isopropyl-3-thiosemicarbazide
  • 1-Amino-3-isopropylthiourea
  • 1-Amino-3-propan-2-ylthiourea
  • 3-Amino-1-(propan-2-yl)thiourea

Work with 4-Isopropylthiosemicarbazide

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′-Bis(1-methylethyl)thiourea2986-17-656 % similar 4-Methyl-3-thiosemicarbazide6610-29-350 % similar Thiocarbohydrazide2231-57-446 % similar N-Butylhydrazinecarbothioamide6610-31-739 % similar 4-Allylthiosemicarbazide3766-55-036 % similar 4-Phenylthiosemicarbazide5351-69-936 % similar N-(2,6-Dimethylphenyl)hydrazinecarbothioamide71058-35-036 % similar N-(2-Methylphenyl)hydrazinecarbothioamide614-10-835 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook