Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0058697

Structure

InChI Key AXCVRQKOVCRCIX-UHFFFAOYSA-N
Smiles O=S(=O)(OC)C=1C=CC=CC1C
InChI
InChI=1/C8H10O3S/c1-7-5-3-4-6-8(7)12(9,10)11-2/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O3S
Molecular Weight 186.04
AlogP 1.33
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 43.37
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 28804-47-9
NORMAN SUSDAT
PubChem 90076