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88626-25-9 | 1,3-Thiazin-1-ium, 4,6-bis(4-methoxyphenyl)-2-(methylthio)-, perchlorate
CAS No: 88626-25-9 Catalog No: AG004AJQ MDL No:
Product Description
Catalog Number:
AG004AJQ
Chemical Name:
1,3-Thiazin-1-ium, 4,6-bis(4-methoxyphenyl)-2-(methylthio)-, perchlorate
CAS Number:
88626-25-9
Molecular Formula:
C19H18ClNO6S2
Molecular Weight:
455.9323
IUPAC Name:
4,6-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazin-1-ium;perchlorate
InChI:
InChI=1S/C19H18NO2S2.ClHO4/c1-21-15-8-4-13(5-9-15)17-12-18(24-19(20-17)23-3)14-6-10-16(22-2)11-7-14;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
DDGNGUXZJMUNOA-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COc1ccc(cc1)c1nc(SC)[s+]c(c1)c1ccc(cc1)OC
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.026g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.924g/mol
Monoisotopic Mass:
455.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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