7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propenyl)amino)phenyl)-6-methyl-, disodium salt

Base Information

• Chemical Name: 7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propenyl)amino)phenyl)-6-methyl-, disodium salt
• CAS No.: 2498-95-5
• Molecular Formula: C27H24 N4 O7 S3 . 2 Na
• Molecular Weight: 656.66072
• European Community (EC) Number: 219-694-3
• Nikkaji Number: J191.992J
• Mol file: 2498-95-5.mol

Synonyms:EINECS 219-694-3;2498-95-5;7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propenyl)amino)phenyl)-6-methyl-, disodium salt;7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propen-1-yl)amino)phenyl)-6-methyl-, sodium salt (1:2);7-Benzothiazolesulfonic acid, 2-(p-(alpha-cyano-p-(methyl(2-sulfoethyl)amino)cinnamamido)phenyl)-6-methyl-, disodium salt;7-Benzothiazolesulfonic acid, 2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]-1-oxo-2-propenyl]amino]phenyl]-6-methyl-, disodium salt;Disodium 2-(4-((2-cyano-3-(4-(methyl(2-sulphonatoethyl)amino)phenyl)-1-oxoallyl)amino)phenyl)-6-methylbenzothiazole-7-sulphonate;Disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate;C27H24N4O7S3.2Na;C27-H24-N4-O7-S3.2Na;2-[4-[[2-Cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]-1-oxo-2-propenyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid disodium salt;7-Benzothiazolesulfonic acid, 2-[p-[.alpha.-cyano-p-[methyl(2-sulfoethyl)amino]cinnamamido]phenyl]-6-methyl-, disodium salt

Chemical Property of 7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propenyl)amino)phenyl)-6-methyl-, disodium salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Water Solubility.: 252g/L at 20℃
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 656.04460114
• Heavy Atom Count: 43
• Complexity: 1190

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(=CC4=CC=C(C=C4)N(C)CCS(=O)(=O)[O-])C#N)S(=O)(=O)[O-].[Na+].[Na+]
• Isomeric SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)/C(=C/C4=CC=C(C=C4)N(C)CCS(=O)(=O)[O-])/C#N)S(=O)(=O)[O-].[Na+].[Na+]

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