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82193-94-0 | 4H-1,4-Thiazine, 2,5-diphenyl-, 1,1-dioxide
CAS No: 82193-94-0 Catalog No: AG0050GG MDL No:
Product Description
Catalog Number:
AG0050GG
Chemical Name:
4H-1,4-Thiazine, 2,5-diphenyl-, 1,1-dioxide
CAS Number:
82193-94-0
Molecular Formula:
C16H13NO2S
Molecular Weight:
283.3449
IUPAC Name:
2,5-diphenyl-4H-1,4-thiazine 1,1-dioxide
InChI:
InChI=1S/C16H13NO2S/c18-20(19)12-15(13-7-3-1-4-8-13)17-11-16(20)14-9-5-2-6-10-14/h1-12,17H
InChI Key:
PAGJIPWJZIJERT-UHFFFAOYSA-N
SMILES:
O=S1(=O)C=C(NC=C1c1ccccc1)c1ccccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.345g/mol
Monoisotopic Mass:
283.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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