Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L6NTK7VJX9
EPA CompTox DTXSID8021195

Structure

InChI Key FSSPGSAQUIYDCN-UHFFFAOYSA-N
Smiles O=S1(=O)CCCO1
InChI
InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O3S1
Molecular Weight 122.0
AlogP -0.26
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1120-71-4
NORMAN SUSDAT
FDA SRS L6NTK7VJX9
PubChem 14264
ChemSpider 13626.0