Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OU983I5IKR
EPA CompTox DTXSID20227696

Structure

InChI Key IGOGJHYWSOZGAE-UHFFFAOYSA-N
Smiles FC=1C=C(F)C(F)=C(S)C1F
InChI
InChI=1/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2F4S
Molecular Weight 181.98
AlogP 2.53
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 769-40-4
NORMAN SUSDAT
FDA SRS OU983I5IKR
PubChem 69859