Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E9814L6CJM
EPA CompTox DTXSID00949364

Structure

InChI Key LMGFTFOLCQQHHC-UHFFFAOYSA-N
Smiles O=C1C(O)=C(SC1C)C
InChI
InChI=1/C6H8O2S/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O2S
Molecular Weight 144.02
AlogP 1.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 37.3
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 26494-10-0
NORMAN SUSDAT
FDA SRS E9814L6CJM
PubChem 5743410