Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z1G437CRNK
EPA CompTox DTXSID00164873

Structure

InChI Key ONJROLGQWMBXAP-UHFFFAOYSA-N
Smiles CC(C)CSSCC(C)C
InChI
InChI=1S/C8H18S2/c1-7(2)5-9-10-6-8(3)4/h7-8H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18S2
Molecular Weight 178.08
AlogP 3.68
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1518-72-5
NORMAN SUSDAT
FDA SRS Z1G437CRNK
PubChem 80284
ChemSpider 72525.0