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85283-75-6 | Ethanaminium, 2-(ethyl(3-methyl-4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)-N,N,N-trimethyl-, acetate
CAS No: 85283-75-6 Catalog No: AG004UYR MDL No:
Product Description
Catalog Number:
AG004UYR
Chemical Name:
Ethanaminium, 2-(ethyl(3-methyl-4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)-N,N,N-trimethyl-, acetate
CAS Number:
85283-75-6
Molecular Formula:
C24H32N6O2S
Molecular Weight:
468.6149
IUPAC Name:
2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium;acetate
InChI:
InChI=1S/C22H29N6S.C2H4O2/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;1-2(3)4/h7-13,16H,6,14-15H2,1-5H3;1H3,(H,3,4)/q+1;/p-1
InChI Key:
WBUGQSGOTQQYPI-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C.CCN(c1ccc(c(c1)C)N=Nc1snc(n1)c1ccccc1)CC[N+](C)(C)C
EC Number:
286-602-6
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.231g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.62g/mol
Monoisotopic Mass:
468.231g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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