Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L4F41SS351
EPA CompTox DTXSID4066418

Structure

InChI Key IDKCKPBAFOIONK-UHFFFAOYSA-N
Smiles Cc1c(C)cc([S-])cc1
InChI
InChI=1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10S1
Molecular Weight 138.05
AlogP 2.59
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 18800-53-8
NORMAN SUSDAT
FDA SRS L4F41SS351
PubChem 87799
ChemSpider 79210.0