Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6FU2EGI4VS
EPA CompTox DTXSID8047135

Structure

InChI Key LXUNZSDDXMPKLP-UHFFFAOYSA-N
Smiles Cc1ccccc1S
InChI
InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8S1
Molecular Weight 124.03
AlogP 2.28
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 137-06-4
NORMAN SUSDAT
FDA SRS 6FU2EGI4VS
PubChem 8712
ChemSpider 5361488.0