chempirical

Acetone thiosemicarbazone

C4H9N3SCAS 1752-30-3131.20 g/mol

Open in Covalent MOL file
NNHNHSH
HydrazoneThiol

Properties

Molecular formula
C4H9N3S
Molar mass
131.20 g/mol
Exact mass
131.0517 Da
Melting point
179 °C
logP
0.84Crippen estimate
Polar surface area
48.2 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Identifiers

CAS number
1752-30-3
SMILES
CC(C)=NNC(=N)S
InChIKey
FQUDPIIGGVBZEQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)

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Names and synonyms

10 names
  • Hydrazinecarbothioamide, 2-(1-methylethylidene)-
  • Acetone, thiosemicarbazone
  • 2-(1-Methylethylidene)hydrazinecarbothioamide
  • Thiosemicarbazone acetone
  • Dimethyl ketone thiosemicarbazone
  • NSC 711
  • ATS
  • ATSC
  • (Propan-2-ylideneamino)thiourea
  • [(Propan-2-ylidene)amino]thiourea

Work with Acetone thiosemicarbazone

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-Acetylthiosemicarbazide2302-88-759 % similar 2-(1-Methylethylidene)hydrazinecarboxamide110-20-348 % similar Methylthiourea598-52-740 % similar Dithiourea142-46-139 % similar Dithiobiuret541-53-739 % similar N-(1-Methylethyl)thiourea1719-76-237 % similar Ethylthiourea625-53-636 % similar N-(1,1-Dimethylethyl)thiourea7204-48-036 % similar

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

Same formula

4-Allylthiosemicarbazide3766-55-0

Elsewhere

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