Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80178650

Structure

InChI Key QVEUMXILHQDFLT-UHFFFAOYSA-N
Smiles Sc1cccc(=S)[nH]1
InChI
InChI=1S/C5H5NS2/c7-4-2-1-3-5(8)6-4/h1-3H,(H2,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N1S2
Molecular Weight 142.99
AlogP 1.66
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 12.89
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 23941-53-9
NORMAN SUSDAT
PubChem 2763146
ChemSpider 2043836.0