Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40916555

Structure

InChI Key CSNCCNLXNYETHP-UHFFFAOYSA-N
Smiles N#CSC(C)CC[Si](OCC)(OCC)OCC
InChI
InChI=1/C11H23NO3SSi/c1-5-13-17(14-6-2,15-7-3)9-8-11(4)16-10-12/h11H,5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H23NO3SSi
Molecular Weight 277.12
AlogP 3.03
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 10.0
Polar Surface Area 51.48
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 94087-37-3
NORMAN SUSDAT
PubChem 16205958