Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5HB35X325C
EPA CompTox DTXSID1074464

Structure

InChI Key UOQACRNTVQWTFF-UHFFFAOYSA-N
Smiles SCCCCCCCCCCS
InChI
InChI=1/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22S2
Molecular Weight 206.12
AlogP 3.97
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1191-67-9
NORMAN SUSDAT
FDA SRS 5HB35X325C
PubChem 14494