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72906-38-8 | (2-(Ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)ethyl)trimethylammonium methyl sulphate
CAS No: 72906-38-8 Catalog No: AG005DZY MDL No:
Product Description
Catalog Number:
AG005DZY
Chemical Name:
(2-(Ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)ethyl)trimethylammonium methyl sulphate
CAS Number:
72906-38-8
Molecular Formula:
C22H30N6O4S2
Molecular Weight:
506.6414
IUPAC Name:
2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium;methyl sulfate
InChI:
InChI=1S/C21H27N6S.CH4O4S/c1-5-26(15-16-27(2,3)4)19-13-11-18(12-14-19)23-24-21-22-20(25-28-21)17-9-7-6-8-10-17;1-5-6(2,3)4/h6-14H,5,15-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
WOLWFXHMSWQTTN-UHFFFAOYSA-M
SMILES:
COS(=O)(=O)[O-].CCN(c1ccc(cc1)N=Nc1snc(n1)c1ccccc1)CC[N+](C)(C)C
EC Number:
277-000-4
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.177g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.64g/mol
Monoisotopic Mass:
506.177g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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