ChemSpider 2D Image | N,N-Diethyl-N'-(2-methyl-1,3-benzothiazol-6-yl)-1,4-benzenedisulfonamide | C18H21N3O4S3

N,N-Diethyl-N'-(2-methyl-1,3-benzothiazol-6-yl)-1,4-benzenedisulfonamide

  • Molecular FormulaC18H21N3O4S3
  • Average mass439.572 Da
  • Monoisotopic mass439.069427 Da
  • ChemSpider ID22552059

More details:

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

1,4-Benzenedisulfonamide, N1,N1-diethyl-N4-(2-methyl-6-benzothiazolyl)- [ACD/Index Name]
N,N-Diethyl-N'-(2-methyl-1,3-benzothiazol-6-yl)-1,4-benzenedisulfonamide [ACD/IUPAC Name]
N,N-Diéthyl-N'-(2-méthyl-1,3-benzothiazol-6-yl)-1,4-benzènedisulfonamide [French] [ACD/IUPAC Name]
N,N-Diethyl-N'-(2-methyl-1,3-benzothiazol-6-yl)-1,4-benzoldisulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 607.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.1±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 225.79
ACD/KOC (pH 5.5): 1680.12
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 136.42
ACD/KOC (pH 7.4): 1015.09
Polar Surface Area: 141 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 310.2±3.0 cm3

Click to predict properties on the Chemicalize site


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