Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AU9AYK8TGM
EPA CompTox DTXSID90173373

Structure

InChI Key LABVNFAVENLDHB-UHFFFAOYSA-N
Smiles COC(=S)SC
InChI
InChI=1S/C3H6OS2/c1-4-3(5)6-2/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O1S2
Molecular Weight 121.99
AlogP 1.28
Hydrogen Bond Acceptor 3.0
Polar Surface Area 9.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 19708-81-7
NORMAN SUSDAT
FDA SRS AU9AYK8TGM
PubChem 140571
ChemSpider 123981.0