Found 17 results

Search term: MF = 'C_{28}H_{26}N_{2}S'
ChemSpider 2D Image | 2-[(E)-(9-Anthrylmethylene)amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile | C28H26N2S

2-[(E)-(9-Anthrylmethylene)amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

  • Molecular FormulaC28H26N2S
  • Average mass422.584 Da
  • Monoisotopic mass422.181671 Da
  • ChemSpider ID79602310

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-(9-Anthrylmethylen)amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-carbonitril [German] [ACD/IUPAC Name]
2-[(E)-(9-Anthrylmethylene)amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile [ACD/IUPAC Name]
2-[(E)-(9-Anthrylméthylène)amino]-6-(2-méthyl-2-propanyl)-4,5,6,7-tétrahydro-1-benzothiophène-3-carbonitrile [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carbonitrile, 2-[[(1E)-9-anthracenylmethylene]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.4±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.49
ACD/LogD (pH 5.5): 8.09
ACD/BCF (pH 5.5): 832390.63
ACD/KOC (pH 5.5): 601570.94
ACD/LogD (pH 7.4): 8.09
ACD/BCF (pH 7.4): 832741.69
ACD/KOC (pH 7.4): 601824.63
Polar Surface Area: 64 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 359.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement