ChemSpider 2D Image | methyl blue free acid | C37H29N3O9S3

methyl blue free acid

  • Molecular FormulaC37H29N3O9S3
  • Average mass755.836 Da
  • Monoisotopic mass755.106567 Da
  • ChemSpider ID65309

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4,4'-[({4-[(4-Sulfophenyl)imino]-2,5-cyclohexadien-1-yliden}methylen)bis(4,1-phenylenimino)]dibenzolsulfonsäure [German] [ACD/IUPAC Name]
4,4'-[({4-[(4-Sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene}methylene)bis(4,1-phenyleneimino)]dibenzenesulfonic acid [ACD/IUPAC Name]
Acide 4,4'-[({4-[(4-sulfophényl)imino]-2,5-cyclohexadién-1-ylidène}méthylène)bis(4,1-phénylèneimino)]dibenzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4,4'-[[[4-[(4-sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methylene]bis(4,1-phenyleneimino)]bis- [ACD/Index Name]
methyl blue free acid
4,4'-{({4-[(4-sulfophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methylene)bis[(4,1-phenylene)azanediyl]}di(benzene-1-sulfonic acid)
4-{[4-({4-[(4-SULFOPHENYL)AMINO]PHENYL}({4-[(4-SULFOPHENYL)IMINO]CYCLOHEXA-2,5-DIEN-1-YLIDENE})METHYL)PHENYL]AMINO}BENZENESULFONIC ACID
61349-51-7 [RN]
61489-48-3 [RN]
8004-91-9 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS004417 [DBID]
AIDS-004417 [DBID]
AIDS006553 [DBID]
AIDS-006553 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 198.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.19
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 78.8±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 522.2±7.0 cm3

Click to predict properties on the Chemicalize site


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