Molecule ID: 47318

IUPAC Name: 4-methyl-5-pyrazin-2-yldithiole-3-thione

Description: The molecule is a 1,2-dithiole that is 3H-1,2-dithiole-3-thione substituted at positions 4 and 5 by methyl and pyrazin-2-yl groups respectively. It has a role as an antineoplastic agent, an antimutagen, a protective agent, an antioxidant, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, a schistosomicide drug, a neurotoxin and an angiogenesis modulating agent. It is a 1,2-dithiole and a member of pyrazines.

SMILES: Cc1c(-c2cnccn2)ssc1=S

SELFIES: [C][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][S][S][C][Ring1][O][=S]

InChI: InChI=1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 1.1