Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0E9MKH53DV
EPA CompTox DTXSID9061388

Structure

InChI Key DSXFPRKPFJRPIB-UHFFFAOYSA-N
Smiles O=C1CCSC1
InChI
InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O1S1
Molecular Weight 102.01
AlogP 0.69
Hydrogen Bond Acceptor 2.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1003-04-9
NORMAN SUSDAT
FDA SRS 0E9MKH53DV
PubChem 61252
ChemSpider 55193.0