Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30205389

Structure

InChI Key XODFSNXVWMJCOU-UHFFFAOYSA-N
Smiles N#CSCCC[Si](OC)(OC)OC
InChI
InChI=1/C7H15NO3SSi/c1-9-13(10-2,11-3)6-4-5-12-7-8/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15NO3SSi
Molecular Weight 221.05
AlogP 1.47
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 51.48
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 56859-24-6
NORMAN SUSDAT
PubChem 92548