Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SQ7HH9QP8J
EPA CompTox DTXSID5070288

Structure

InChI Key DNCIDNCRBAKPTP-UHFFFAOYSA-N
Smiles CCCCCCS(=O)(=O)F
InChI
InChI=1S/C6H13FO2S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13F1O2S1
Molecular Weight 168.06
AlogP 1.87
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 34.14
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 65269-96-7
NORMAN SUSDAT
FDA SRS SQ7HH9QP8J
PubChem 103340
ChemSpider 93314.0