Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZP5HM4Q36Z
EPA CompTox DTXSID4065781

Structure

InChI Key AEHJDQSLTMFLQO-UHFFFAOYSA-N
Smiles O=S(=O)(Cl)CCCCCC
InChI
InChI=1/C6H13ClO2S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13ClO2S
Molecular Weight 184.03
AlogP 2.14
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 14532-24-2
NORMAN SUSDAT
FDA SRS ZP5HM4Q36Z
PubChem 84504