Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40182596

Structure

InChI Key MWKYQORKTYAWTG-UHFFFAOYSA-N
Smiles SCCC1(S)CCCCC1
InChI
InChI=1S/C8H16S2/c9-7-6-8(10)4-2-1-3-5-8/h9-10H,1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16S2
Molecular Weight 176.07
AlogP 2.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 28351-14-6
NORMAN SUSDAT
PubChem 3015411
ChemSpider 2283559.0