2-((E)-(3-((E)-4-(dimethylamino)styryl)-5,5-dimethylcyclohex-2-en-1-ylidene)methyl)-3-methylbenzo[d]thiazol-3-ium perchlorate

Base Information

• Chemical Name: 2-((E)-(3-((E)-4-(dimethylamino)styryl)-5,5-dimethylcyclohex-2-en-1-ylidene)methyl)-3-methylbenzo[d]thiazol-3-ium perchlorate
• CAS No.: 82988-08-7
• Molecular Formula: C27H31ClN2O4S
• Molecular Weight: 515.06
• European Community (EC) Number: 623-456-8
• Mol file: 82988-08-7.mol

Synonyms:Styryl 9M;82988-08-7;120528-73-6;2-((E)-(3-((E)-4-(dimethylamino)styryl)-5,5-dimethylcyclohex-2-en-1-ylidene)methyl)-3-methylbenzo[d]thiazol-3-ium perchlorate;4-[(E)-2-[(3E)-5,5-dimethyl-3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]ethenyl]-N,N-dimethylaniline;perchlorate;SCHEMBL1532916;AKOS000814412;EN300-19651627;EN300-21680951;F9995-0024;2-[(3-{2-[4-(dimethylamino)phenyl]ethenyl}-5,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate;2-{[(1E)-3-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium perchlorate

Chemical Property of 2-((E)-(3-((E)-4-(dimethylamino)styryl)-5,5-dimethylcyclohex-2-en-1-ylidene)methyl)-3-methylbenzo[d]thiazol-3-ium perchlorate

Chemical Property:

• Melting Point: 250oC (dec.)(lit.)
• PSA: 0.00000
• LogP: 2.20660
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 514.1693063
• Heavy Atom Count: 35
• Complexity: 777

Purity/Quality:

98%,99%, ^*data from raw suppliers

Styryl 9M Dye content ~98 % ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CC(=CC(=CC2=[N+](C3=CC=CC=C3S2)C)C1)C=CC4=CC=C(C=C4)N(C)C)C.[O-]Cl(=O)(=O)=O
• Isomeric SMILES: CC1(CC(=C/C(=C/C2=[N+](C3=CC=CC=C3S2)C)/C1)/C=C/C4=CC=C(C=C4)N(C)C)C.[O-]Cl(=O)(=O)=O