Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PF2D4MWX79
EPA CompTox DTXSID3073264

Structure

InChI Key OATSQCXMYKYFQO-UHFFFAOYSA-N
Smiles CSC(=O)C
InChI
InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O1S1
Molecular Weight 90.01
AlogP 0.9
Hydrogen Bond Acceptor 2.0
Polar Surface Area 17.07
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 1534-08-3
NORMAN SUSDAT
FDA SRS PF2D4MWX79
PubChem 73750
ChemSpider 66391.0