Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HHR1KHP34N

Structure

InChI Key OZNTVIXYGTUPJY-UHFFFAOYSA-N
Smiles COc1cc(C)c(cc1OC)[S](C)=O
InChI
InChI=1S/C10H14O3S/c1-7-5-8(12-2)9(13-3)6-10(7)14(4)11/h5-6H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O3S1
Molecular Weight 214.07
AlogP 1.75
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 35.53
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 38452-29-8
NORMAN SUSDAT
FDA SRS HHR1KHP34N