(2-(4-(Dihexylamino)-2-methylbenzylidene)benzo(b)thien-3(2H)-ylidene)malononitrile S,S-dioxide

Base Information

• Chemical Name: (2-(4-(Dihexylamino)-2-methylbenzylidene)benzo(b)thien-3(2H)-ylidene)malononitrile S,S-dioxide
• CAS No.: 74239-96-6
• Deprecated CAS: 104137-27-1,88731-50-4,958828-16-5
• Molecular Formula: C31H37 N3 O2 S
• Molecular Weight: 515.70938
• Mol file: 74239-96-6.mol

Synonyms:Disperse Blue 354;104137-27-1;(2-(4-(Dihexylamino)-2-methylbenzylidene)benzo(b)thien-3(2H)-ylidene)malononitrile S,S-dioxide;2-[(2Z)-2-[[4-(dihexylamino)-2-methylphenyl]methylidene]-1,1-dioxido-1-benzothiophen-3-ylidene]propanedinitrile;PKTFYZSGZNKQIM-OFWBYEQRSA-L

Chemical Property of (2-(4-(Dihexylamino)-2-methylbenzylidene)benzo(b)thien-3(2H)-ylidene)malononitrile S,S-dioxide

Chemical Property:

• Boiling Point: 684.5±55.0 °C(Predicted)
• PKA: 4.78±0.50(Predicted)
• Density: 1.169
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 515.26064861
• Heavy Atom Count: 37
• Complexity: 878

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCN(CCCCCC)C1=CC(=C(C=C1)C=C2C(=C(C#N)C#N)C3=CC=CC=C3S2([O-])[O-])C
• Isomeric SMILES: CCCCCCN(CCCCCC)C1=CC(=C(C=C1)/C=C\2/C(=C(C#N)C#N)C3=CC=CC=C3S2([O-])[O-])C