Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40960750

Structure

InChI Key FWVSZXYNCFXKRT-UHFFFAOYSA-N
Smiles OC1C=2C=CC=CC2SCC1
InChI
InChI=1/C9H10OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10OS
Molecular Weight 166.05
AlogP 2.22
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 40316-60-7
NORMAN SUSDAT
PubChem 375102