Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4854JD2EEB
EPA CompTox DTXSID0063523

Structure

InChI Key VJMQFIRIMMSSRW-UHFFFAOYSA-N
Smiles S(C=1C=CC=CC1)[Si](C)(C)C
InChI
InChI=1/C9H14SSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14SSi
Molecular Weight 182.06
AlogP 3.61
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 4551-15-9
NORMAN SUSDAT
FDA SRS 4854JD2EEB
PubChem 78312