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88626-07-7 | 1,3-Thiazin-1-ium, 2-(ethylthio)-4,6-diphenyl-, perchlorate
CAS No: 88626-07-7 Catalog No: AG004BSF MDL No:
Product Description
Catalog Number:
AG004BSF
Chemical Name:
1,3-Thiazin-1-ium, 2-(ethylthio)-4,6-diphenyl-, perchlorate
CAS Number:
88626-07-7
Molecular Formula:
C18H16ClNO4S2
Molecular Weight:
409.9069
IUPAC Name:
2-ethylsulfanyl-4,6-diphenyl-1,3-thiazin-1-ium;perchlorate
InChI:
InChI=1S/C18H16NS2.ClHO4/c1-2-20-18-19-16(14-9-5-3-6-10-14)13-17(21-18)15-11-7-4-8-12-15;2-1(3,4)5/h3-13H,2H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
QIMFGCKUISTWDM-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCSc1nc(cc([s+]1)c1ccccc1)c1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.021g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.899g/mol
Monoisotopic Mass:
409.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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