Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10196625

Structure

InChI Key FSUJNLGZJFPIBE-UHFFFAOYSA-N
Smiles SC(=S)Nc1ccncc1
InChI
InChI=1S/C6H6N2S2/c9-6(10)8-5-1-3-7-4-2-5/h1-4H,(H2,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6N2S2
Molecular Weight 170.0
AlogP 1.13
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Polar Surface Area 28.15
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 45810-08-0
NORMAN SUSDAT
PubChem 3579126
ChemSpider 2815869.0