Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60884787

Structure

InChI Key RGDJXHLNJJZNGO-UHFFFAOYSA-N
Smiles O=S1OCC(O1)CCl
InChI
InChI=1/C3H5ClO3S/c4-1-3-2-6-8(5)7-3/h3H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5ClO3S
Molecular Weight 155.96
AlogP 0.22
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 35.53
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 15121-11-6
NORMAN SUSDAT
PubChem 85804