Found 17 results

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

4-[(E)-({3-(Allylsulfanyl)-5-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-4-yl}imino)methyl]-N-benzyl-N-ethylaniline

  • Molecular FormulaC27H29N5S2
  • Average mass487.683 Da
  • Monoisotopic mass487.186432 Da
  • ChemSpider ID126465432

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-({3-(Allylsulfanyl)-5-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-4-yl}imino)methyl]-N-benzyl-N-ethylanilin [German] [ACD/IUPAC Name]
4-[(E)-({3-(Allylsulfanyl)-5-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-4-yl}imino)methyl]-N-benzyl-N-ethylaniline [ACD/IUPAC Name]
4-[(E)-({3-(Allylsulfanyl)-5-[2-(2-thiényl)éthyl]-4H-1,2,4-triazol-4-yl}imino)méthyl]-N-benzyl-N-éthylaniline [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, N-[(1E)-[4-[ethyl(phenylmethyl)amino]phenyl]methylene]-3-(2-propen-1-ylthio)-5-[2-(2-thienyl)ethyl]- [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: 683.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.1±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 149.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 71422.43
ACD/KOC (pH 5.5): 103710.65
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 71497.99
ACD/KOC (pH 7.4): 103820.37
Polar Surface Area: 100 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 415.7±7.0 cm3

Click to predict properties on the Chemicalize site


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