Found 17 results

Search term: MF = 'C_{27}H_{29}N_{5}S_{2}'
ChemSpider 2D Image | N-Benzyl-N-ethyl-4-[(E)-({3-[(2-methyl-2-propen-1-yl)sulfanyl]-5-(2-thienylmethyl)-4H-1,2,4-triazol-4-yl}imino)methyl]aniline | C27H29N5S2

N-Benzyl-N-ethyl-4-[(E)-({3-[(2-methyl-2-propen-1-yl)sulfanyl]-5-(2-thienylmethyl)-4H-1,2,4-triazol-4-yl}imino)methyl]aniline

  • Molecular FormulaC27H29N5S2
  • Average mass487.683 Da
  • Monoisotopic mass487.186432 Da
  • ChemSpider ID126501814

  • Double-bond stereo - Double-bond stereo

More details:

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

4H-1,2,4-Triazol-4-amine, N-[(1E)-[4-[ethyl(phenylmethyl)amino]phenyl]methylene]-3-[(2-methyl-2-propen-1-yl)thio]-5-(2-thienylmethyl)- [ACD/Index Name]
N-Benzyl-N-ethyl-4-[(E)-({3-[(2-methyl-2-propen-1-yl)sulfanyl]-5-(2-thienylmethyl)-4H-1,2,4-triazol-4-yl}imino)methyl]anilin [German] [ACD/IUPAC Name]
N-Benzyl-N-ethyl-4-[(E)-({3-[(2-methyl-2-propen-1-yl)sulfanyl]-5-(2-thienylmethyl)-4H-1,2,4-triazol-4-yl}imino)methyl]aniline [ACD/IUPAC Name]
N-Benzyl-N-éthyl-4-[(E)-({3-[(2-méthyl-2-propén-1-yl)sulfanyl]-5-(2-thiénylméthyl)-4H-1,2,4-triazol-4-yl}imino)méthyl]aniline [French] [ACD/IUPAC 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: 681.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 365.9±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 148.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 63911.46
ACD/KOC (pH 5.5): 95791.52
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 63955.96
ACD/KOC (pH 7.4): 95858.22
Polar Surface Area: 100 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 414.9±7.0 cm3

Click to predict properties on the Chemicalize site


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