Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30964287

Structure

InChI Key OIPVZGSYIJYEGU-UHFFFAOYSA-N
Smiles O=S1(=O)CC(Cl)C(O)C1
InChI
InChI=1/C4H7ClO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7ClO3S
Molecular Weight 169.98
AlogP -0.62
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 54.37
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 49592-61-2
NORMAN SUSDAT
PubChem 97760