chempirical

Oltipraz

C8H6N2S3CAS 64224-21-1226.33 g/mol

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NNSSS

Properties

Molecular formula
C8H6N2S3
Molar mass
226.33 g/mol
Exact mass
225.9693 Da
logP
3.30Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1

Identifiers

CAS number
64224-21-1
SMILES
Cc1c(-c2cnccn2)ssc1=S
InChIKey
CKNAQFVBEHDJQV-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3

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Names and synonyms

6 names
  • 3H-1,2-Dithiole-3-thione, 4-methyl-5-(2-pyrazinyl)-
  • 3H-1,2-Dithiole-3-thione, 4-methyl-5-pyrazinyl-
  • 4-Methyl-5-(2-pyrazinyl)-3H-1,2-dithiole-3-thione
  • RP 35972
  • NSC 347901
  • 4-Methyl-5-pyrazinyl-3H-1,2-dithiole-3-thione

Work with Oltipraz

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

2-(1H-1,2,4-Triazol-5-yl)pyrazine130612-31-632 % similar Chloropyrazine14508-49-731 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook