Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80233430

Structure

InChI Key AMQYICAOQAOBSI-UHFFFAOYSA-N
Smiles FC(F)(F)CSCC(OC)OC
InChI
InChI=1/C6H11F3O2S/c1-10-5(11-2)3-12-4-6(7,8)9/h5H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11F3O2S
Molecular Weight 204.04
AlogP 1.9
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 18.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 84455-36-7
NORMAN SUSDAT
PubChem 3019895