Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 85XYC59UJB
EPA CompTox DTXSID4020668

Structure

InChI Key WDXYVJKNSMILOQ-UHFFFAOYSA-N
Smiles O=S1OCCO1
InChI
InChI=1S/C2H4O3S/c3-6-4-1-2-5-6/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4O3S1
Molecular Weight 107.99
AlogP -0.39
Hydrogen Bond Acceptor 3.0
Polar Surface Area 35.53
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 3741-38-6
NORMAN SUSDAT
FDA SRS 85XYC59UJB
PubChem 77342
ChemSpider 69759.0