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88626-11-3 | Morpholinium, 4-(4,6-diphenyl-2H-1,3-thiazin-2-ylidene)-, perchlorate
CAS No: 88626-11-3 Catalog No: AG004A3X MDL No:
Product Description
Catalog Number:
AG004A3X
Chemical Name:
Morpholinium, 4-(4,6-diphenyl-2H-1,3-thiazin-2-ylidene)-, perchlorate
CAS Number:
88626-11-3
Molecular Formula:
C20H19ClN2O5S
Molecular Weight:
434.8933
IUPAC Name:
4-(4,6-diphenyl-1,3-thiazin-2-ylidene)morpholin-4-ium;perchlorate
InChI:
InChI=1S/C20H19N2OS.ClHO4/c1-3-7-16(8-4-1)18-15-19(17-9-5-2-6-10-17)24-20(21-18)22-11-13-23-14-12-22;2-1(3,4)5/h1-10,15H,11-14H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ZXZOMYSMGXYTTE-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1cc(sc(=[N+]2CCOCC2)n1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.07g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.891g/mol
Monoisotopic Mass:
434.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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