Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40178919

Structure

InChI Key QEIOAAJCOKZGDV-UHFFFAOYSA-N
Smiles CS(=O)(=O)C#N
InChI
InChI=1S/C2H3NO2S/c1-6(4,5)2-3/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3N1O2S1
Molecular Weight 104.99
AlogP -0.49
Hydrogen Bond Acceptor 3.0
Polar Surface Area 57.93
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 24225-08-9
NORMAN SUSDAT
PubChem 90422
ChemSpider 81637.0