ChemSpider 2D Image | 2-[(2-Cyanoethyl){4-[(E)-(6,7-dichloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate | C20H17Cl2N5O2S

2-[(2-Cyanoethyl){4-[(E)-(6,7-dichloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate

  • Molecular FormulaC20H17Cl2N5O2S
  • Average mass462.352 Da
  • Monoisotopic mass461.048004 Da
  • ChemSpider ID57444152

  • Double-bond stereo - Double-bond stereo

More details:

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

127126-02-7 [RN]
2-[(2-Cyanethyl){4-[(E)-(6,7-dichlor-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl-acetat [German] [ACD/IUPAC Name]
2-[(2-Cyanoethyl){4-[(E)-(6,7-dichloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate [ACD/IUPAC Name]
3-[[2-(Acetyloxy)ethyl][4-[2-(6,7-dichloro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile
Acétate de 2-[(2-cyanoéthyl){4-[(E)-(6,7-dichloro-1,3-benzothiazol-2-yl)diazényl]phényl}amino]éthyle [French] [ACD/IUPAC Name]
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(E)-2-(6,7-dichloro-2-benzothiazolyl)diazenyl]phenyl]amino]- [ACD/Index Name]
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4- [(6,7-dichloro-2-benzothiazolyl)azo]phenyl]amino ]-
PROPANENITRILE,3-[[2-(ACETYLOXY)ETHYL][4- [(6,7-DICHLORO-2-BENZOTHIAZOLYL)AZO]PHENYL]AMINO ]-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 649.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.5±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 121.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6329.21
ACD/KOC (pH 5.5): 18305.93
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6329.49
ACD/KOC (pH 7.4): 18306.74
Polar Surface Area: 119 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 326.5±7.0 cm3

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