chempirical

4-Allylthiosemicarbazide

C4H9N3SCAS 3766-55-0131.20 g/mol

Open in Covalent MOL file
NSHNHNH2
AlkenePrimary amineThiol

Properties

Molecular formula
C4H9N3S
Molar mass
131.20 g/mol
Exact mass
131.0517 Da
Melting point
123.5–124.5 °C
logP
-0.08Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
2

Identifiers

CAS number
3766-55-0
SMILES
C=CCN=C(S)NN
InChIKey
CZLPCLANGIXFIE-UHFFFAOYSA-N
InChI
InChI=1S/C4H9N3S/c1-2-3-6-4(8)7-5/h2H,1,3,5H2,(H2,6,7,8)

Weigh it out

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

Names and synonyms

13 names · show all
  • Hydrazinecarbothioamide, N-2-propen-1-yl-
  • Semicarbazide, 4-allyl-3-thio-
  • Hydrazinecarbothioamide, N-2-propenyl-
  • N-2-Propen-1-ylhydrazinecarbothioamide
  • N-Allylthiosemicarbazide
  • Allylthiosemicarbazide
  • 4-Allyl-3-thiosemicarbazide
  • N-(2-Propenyl)hydrazinecarbothioamide
  • NSC 75830
  • 4-(2-Propenyl)hydrazinethiocarbamide
  • 4-Propenylthiosemicarbazide
  • 1-Amino-3-prop-2-enylthiourea
  • 1-Amino-3-(prop-2-en-1-yl)thiourea

Work with 4-Allylthiosemicarbazide

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

1-Allyl-3-(2-hydroxyethyl)-2-thiourea105-81-753 % similar N-Butylhydrazinecarbothioamide6610-31-744 % similar 4-Benzylthiosemicarbazide13431-41-942 % similar Thiocarbohydrazide2231-57-441 % similar 4-Methyl-3-thiosemicarbazide6610-29-340 % similar N,N′-Di-2-propen-1-ylurea1801-72-537 % similar 4-Isopropylthiosemicarbazide13431-36-236 % similar 4-Phenylthiosemicarbazide5351-69-933 % similar

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

Same formula

Acetone thiosemicarbazone1752-30-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook