Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00951341

Structure

InChI Key QKACLVHIJAYRIA-UHFFFAOYSA-N
Smiles SC1(S)CCCCC1CC
InChI
InChI=1/C8H16S2/c1-2-7-5-3-4-6-8(7,9)10/h7,9-10H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16S2
Molecular Weight 176.07
AlogP 3.14
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 28679-10-9
NORMAN SUSDAT
PubChem 22140529