Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50166544

Structure

InChI Key RKTRHMNWVZRZJQ-UHFFFAOYSA-N
Smiles FC1=CC=C(C=C1)CS
InChI
InChI=1/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7FS
Molecular Weight 142.03
AlogP 2.26
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 15894-04-9
NORMAN SUSDAT
PubChem 85171