Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CM7UNQ95TJ
EPA CompTox DTXSID10227887

Structure

InChI Key UVAMFBJPMUMURT-UHFFFAOYSA-N
Smiles FC=1C(F)=C(F)C(S)=C(F)C1F
InChI
InChI=1/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6HF5S
Molecular Weight 199.97
AlogP 2.67
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 771-62-0
NORMAN SUSDAT
FDA SRS CM7UNQ95TJ
PubChem 13042