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63665-81-6 | 1-methyl-2-[3-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl]naphtho[1,2-d]thiazolium toluene-p-sulphonate
CAS No: 63665-81-6 Catalog No: AG00F6DO MDL No:
Product Description
Catalog Number:
AG00F6DO
Chemical Name:
1-methyl-2-[3-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl]naphtho[1,2-d]thiazolium toluene-p-sulphonate
CAS Number:
63665-81-6
IUPAC Name:
4-methylbenzenesulfonate;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole
InChI:
InChI=1S/C33H25N2S2.C7H8O3S/c1-34-30(36-28-18-16-23-12-6-8-14-26(23)32(28)34)20-25(22-10-4-3-5-11-22)21-31-35(2)33-27-15-9-7-13-24(27)17-19-29(33)37-31;1-6-2-4-7(5-3-6)11(8,9)10/h3-21H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
FQEAOMQUSANKRE-UHFFFAOYSA-M
EC Number:
264-394-8
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
684.158g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
684.887g/mol
Monoisotopic Mass:
684.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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