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83171-58-8 | 1,2-Benzisothiazol-3(2H)-one, 2-(triphenylstannyl)-, 1,1-dioxide
CAS No: 83171-58-8 Catalog No: AG0050DV MDL No:
Product Description
Catalog Number:
AG0050DV
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-(triphenylstannyl)-, 1,1-dioxide
CAS Number:
83171-58-8
Molecular Formula:
C25H19NO3SSn
Molecular Weight:
532.1893
IUPAC Name:
1,1-dioxo-2-triphenylstannyl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C7H5NO3S.3C6H5.Sn/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;3*1-2-4-6-5-3-1;/h1-4H,(H,8,9);3*1-5H;/q;;;;+1/p-1
InChI Key:
DDNDPTPLKMRGTE-UHFFFAOYSA-M
SMILES:
O=C1c2ccccc2S(=O)(=O)N1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
700
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.011g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
532.201g/mol
Monoisotopic Mass:
533.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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