Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 91TK6UD8X5
EPA CompTox DTXSID00159749

Structure

InChI Key KNCMHNISYLPZBZ-UHFFFAOYSA-N
Smiles Cn1c(=S)[nH][nH]c1=S
InChI
InChI=1S/C3H5N3S2/c1-6-2(7)4-5-3(6)8/h1H3,(H,4,7)(H,5,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N3S2
Molecular Weight 146.99
AlogP 0.39
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Polar Surface Area 30.71
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 13625-51-9
NORMAN SUSDAT
FDA SRS 91TK6UD8X5
PubChem 3034216
ChemSpider 2298721.0