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

Structure

InChI Key PEZSCBMHDXNXQL-UHFFFAOYSA-N
Smiles OC(C=1SC=CC1)C2CC2
InChI
InChI=1/C8H10OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6,8-9H,3-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10OS
Molecular Weight 154.05
AlogP 2.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 60942-21-4
NORMAN SUSDAT
PubChem 98065