Found 81 results

Search term: MF = 'C_{18}H_{19}BrN_{4}S'
ChemSpider 2D Image | 4-Bromo-N-{(1R)-1-[5-(ethylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl}aniline | C18H19BrN4S

4-Bromo-N-{(1R)-1-[5-(ethylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl}aniline

  • Molecular FormulaC18H19BrN4S
  • Average mass403.339 Da
  • Monoisotopic mass402.051361 Da
  • ChemSpider ID62671209

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Brom-N-{(1R)-1-[5-(ethylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl}anilin [German] [ACD/IUPAC Name]
4-Bromo-N-{(1R)-1-[5-(ethylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl}aniline [ACD/IUPAC Name]
4-Bromo-N-{(1R)-1-[5-(éthylsulfanyl)-4-phényl-4H-1,2,4-triazol-3-yl]éthyl}aniline [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-methanamine, N-(4-bromophenyl)-5-(ethylthio)-α-methyl-4-phenyl-, (αR)- [ACD/Index 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: 585.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.8±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 106.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4582.05
ACD/KOC (pH 5.5): 14525.14
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4584.23
ACD/KOC (pH 7.4): 14532.05
Polar Surface Area: 68 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 287.1±7.0 cm3

Click to predict properties on the Chemicalize site


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