Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50174240

Structure

InChI Key CYXRBVIJBDYNQU-UHFFFAOYSA-N
Smiles S=[Sn](C=1C=CC=CC1)C=2C=CC=CC2
InChI
InChI=1/2C6H5.S.Sn/c2*1-2-4-6-5-3-1;;/h2*1-5H;;/rC12H10SSn/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10SSn
Molecular Weight 305.95
AlogP 1.99
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 20332-10-9
NORMAN SUSDAT
PubChem 88492