alpha-((4-(Benzothiazol-2-ylazo)-m-tolyl)ethylamino)-m-toluenesulphonic acid

Base Information

• Chemical Name: alpha-((4-(Benzothiazol-2-ylazo)-m-tolyl)ethylamino)-m-toluenesulphonic acid
• CAS No.: 29706-48-7
• Molecular Formula: C23H22 N4 O3 S2
• Molecular Weight: 466.57578
• European Community (EC) Number: 249-790-0
• DSSTox Substance ID: DTXSID50865505
• Nikkaji Number: J286.936E
• Mol file: 29706-48-7.mol

Synonyms:29706-48-7;EINECS 249-790-0;alpha-((4-(Benzothiazol-2-ylazo)-m-tolyl)ethylamino)-m-toluenesulphonic acid;C23H22N4O3S2;alpha-[[4-(benzothiazol-2-ylazo)-m-tolyl]ethylamino]-m-toluenesulphonic acid;Benzenesulfonic acid, 3-(((4-(2-benzothiazolylazo)-3-methylphenyl)ethylamino)methyl)-;Benzenesulfonic acid, 3-[[[4-(2-benzothiazolylazo)-3-methylphenyl]ethylamino]methyl]-;DTXSID50865505;C23-H22-N4-O3-S2;3-[[[4-(2-Benzothiazolylazo)-3-methylphenyl]ethylamino]methyl]benzenesulfonic acid;ALPHA-[[4-(BENZOTHIAZOL-2-YLAZO)-M-TOLYL]ETHYLAMINO]-M-TOLUENESULFONIC ACID;Benzenesulfonic acid, 3-[[[4-(2-benzothiazolylazo) -3-methylphenyl]ethylamino]methyl]-;3-{[{4-[(1,3-Benzothiazol-2-yl)diazenyl]-3-methylphenyl}(ethyl)amino]methyl}benzene-1-sulfonic acid

Chemical Property of alpha-((4-(Benzothiazol-2-ylazo)-m-tolyl)ethylamino)-m-toluenesulphonic acid

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 466.11333292
• Heavy Atom Count: 32
• Complexity: 744

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)N=NC3=NC4=CC=CC=C4S3)C

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