Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U6R4I8LVEF
EPA CompTox DTXSID4061460

Structure

InChI Key OQYOVYWFXHQYOP-UHFFFAOYSA-N
Smiles O=S1(=O)OCCCO1
InChI
InChI=1S/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O4S1
Molecular Weight 138.0
AlogP -0.33
Hydrogen Bond Acceptor 4.0
Polar Surface Area 52.6
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1073-05-8
NORMAN SUSDAT
FDA SRS U6R4I8LVEF
PubChem 70623
ChemSpider 63791.0