chempirical

N-Acetylthiosemicarbazide

C3H7N3OSCAS 2302-88-7133.17 g/mol

Open in Covalent MOL file
ONHNHNHSH
HydrazoneThiol

Properties

Molecular formula
C3H7N3OS
Molar mass
133.17 g/mol
Exact mass
133.0310 Da
Melting point
157 °C
logP
0.33Crippen estimate
Polar surface area
68.5 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
1

Identifiers

CAS number
2302-88-7
SMILES
CC(O)=NNC(=N)S
InChIKey
NSIMQTOXNOFWBP-UHFFFAOYSA-N
InChI
InChI=1S/C3H7N3OS/c1-2(7)5-6-3(4)8/h1H3,(H,5,7)(H3,4,6,8)

Weigh it out

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

Names and synonyms

7 names
  • Acetic acid, 2-(aminothioxomethyl)hydrazide
  • Semicarbazide, 1-acetyl-3-thio-
  • 1-Acetylthiosemicarbazide
  • Acetylthiosemicarbazide
  • 1-Acetyl-3-thiosemicarbazide
  • NSC 202518
  • 2-Acetylhydrazinecarbothioamide

Work with N-Acetylthiosemicarbazide

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

Acetone thiosemicarbazone1752-30-359 % similar 4′-Formylacetanilide thiosemicarbazone104-06-348 % similar Acetylthiourea591-08-243 % similar Acetylurea591-07-137 % similar Methylthiourea598-52-736 % similar (2S)-2-(Acetylamino)propanamide15962-47-735 % similar Dithiourea142-46-135 % similar 1,2-Diacetylhydrazine3148-73-035 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook