ChemSpider 2D Image | 1,1'-{1,3-Propanediylbis[(dimethylammonio)-3,1-propanediyl]}bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium} | C49H58N6S2

1,1'-{1,3-Propanediylbis[(dimethylammonio)-3,1-propanediyl]}bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}

  • Molecular FormulaC49H58N6S2
  • Average mass795.153 Da
  • Monoisotopic mass794.414246 Da
  • ChemSpider ID117037
  • Charge - Charge


More details:






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

1,1'-{1,3-Propandiylbis[(dimethylammonio)-3,1-propandiyl]}bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-yliden)methyl]chinolinium} [German] [ACD/IUPAC Name]
1,1'-{1,3-Propanediylbis[(diméthylammonio)-3,1-propanediyl]}bis{4-[(Z)-(3-méthyl-1,3-benzothiazol-2(3H)-ylidène)méthyl]quinoléinium} [French] [ACD/IUPAC Name]
1,1'-{1,3-Propanediylbis[(dimethylammonio)-3,1-propanediyl]}bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium} [ACD/IUPAC Name]
Quinolinium, 1,1'-[1,3-propanediylbis[(dimethylammonio)-3,1-propanediyl]]bis[4-[(Z)-(3-methyl-2(3H)-benzothiazolylidene)methyl]- [ACD/Index Name]
1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM
1,1'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diyl]}bis{4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}
TOT
Toto (Bis-Thiazole Orange)
ToTo-1 cation
ToTo-1 tetracation
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 65 Å2
Polarizability:
Surface Tension:
Molar Volume:

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