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88626-03-3

88626-03-3 | 1,3-Thiazin-1-ium, 2-methyl-4,6-diphenyl-, perchlorate

CAS No: 88626-03-3 Catalog No: AG004AJR MDL No:

Product Description

Catalog Number:
AG004AJR
Chemical Name:
1,3-Thiazin-1-ium, 2-methyl-4,6-diphenyl-, perchlorate
CAS Number:
88626-03-3
Molecular Formula:
C17H14ClNO4S
Molecular Weight:
363.8154
IUPAC Name:
2-methyl-4,6-diphenyl-1,3-thiazin-1-ium;perchlorate
InChI:
InChI=1S/C17H14NS.ClHO4/c1-13-18-16(14-8-4-2-5-9-14)12-17(19-13)15-10-6-3-7-11-15;2-1(3,4)5/h2-12H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ODOSMVMMVMYAFW-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1nc(cc([s+]1)c1ccccc1)c1ccccc1

Properties

Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.033g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.812g/mol
Monoisotopic Mass:
363.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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