2,2-DIBUTYL-1,3,2-OXATHIASTANNOLAN-5-ONE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID4058813

Structure

InChI Key OLOQHZSCBTUIGQ-UHFFFAOYSA-L
Smiles O=C1O[Sn](SC1)(CCCC)CCCC
InChI
InChI=1/2C4H9.C2H4O2S.Sn/c2*1-3-4-2;3-2(4)1-5;/h2*1,3-4H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2/rC10H20O2SSn/c1-3-5-7-14(8-6-4-2)12-10(11)9-13-14/h3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O2SSn
Molecular Weight 324.02
AlogP 3.32
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 26.3
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 78-20-6
NORMAN SUSDAT
CONTENTS