Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7064990

Structure

InChI Key SDBQMGGFXXVCCV-UHFFFAOYSA-N
Smiles SCCOC(=O)CCCCC(=O)OCCS
InChI
InChI=1S/C10H18O4S2/c11-9(13-5-7-15)3-1-2-4-10(12)14-6-8-16/h15-16H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O4S2
Molecular Weight 266.06
AlogP 1.49
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 52.6
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 10194-00-0
NORMAN SUSDAT
PubChem 82442
ChemSpider 74401.0