Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H56LN13OWO
EPA CompTox DTXSID4070740

Structure

InChI Key FZSIEPOWYMJQCT-UHFFFAOYSA-N
Smiles SCCOC(=O)CCSCCC(=O)OCCS
InChI
InChI=1S/C10H18O4S3/c11-9(13-3-5-15)1-7-17-8-2-10(12)14-4-6-16/h15-16H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O4S3
Molecular Weight 298.04
AlogP 1.45
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 52.6
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 67874-44-6
NORMAN SUSDAT
FDA SRS H56LN13OWO
PubChem 105879
ChemSpider 95417.0