Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PS92MLC0FQ
EPA CompTox DTXSID5060142

Structure

InChI Key DUYAAUVXQSMXQP-UHFFFAOYSA-N
Smiles CC(S)=O
InChI
InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4O1S1
Molecular Weight 76.0
AlogP 0.46
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 17.07
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 507-09-5
NORMAN SUSDAT
FDA SRS PS92MLC0FQ
PubChem 10484
ChemSpider 10052.0