CID 19780837
PubChem CID
19780837
Structure
Molecular Formula
Status
Non-live
Molecular Weight
461.1 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
2-methylbenzenesulfonate;tin(4+)
InChI=1S/2C7H8O3S.Sn/c2*1-6-4-2-3-5-7(6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+4/p-2
CCPCVHQKKYOXOM-UHFFFAOYSA-L
CC1=CC=CC=C1S(=O)(=O)[O-].CC1=CC=CC=C1S(=O)(=O)[O-].[Sn+4]
C14H14O6S2Sn+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
461.1 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
461.925383 g/mol
Property Name
Monoisotopic Mass
Property Value
461.925383 g/mol
Property Name
Topological Polar Surface Area
Property Value
131 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
201
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
3
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS