Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80887730

Structure

InChI Key XVSUBHTWVKBFEH-UHFFFAOYSA-N
Smiles ClC(CSSCC(Cl)CCCCCC)CCCCCC
InChI
InChI=1/C16H32Cl2S2/c1-3-5-7-9-11-15(17)13-19-20-14-16(18)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32Cl2S2
Molecular Weight 358.13
AlogP 7.52
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 15.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 70776-26-0
NORMAN SUSDAT
PubChem 93409