Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40233198

Structure

InChI Key FWWVSTJJEPANBO-UHFFFAOYSA-N
Smiles Cc1c(nc[nH]1)C(=S)S
InChI
InChI=1S/C5H6N2S2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6N2S2
Molecular Weight 158.0
AlogP 1.32
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 28.68
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 84255-40-3
NORMAN SUSDAT
PubChem 3019809
ChemSpider 2286886.0