ChemSpider 2D Image | (1S)-1-{5-[(3-Fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-methyl-1-butanamine | C14H18FN3OS

(1S)-1-{5-[(3-Fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-methyl-1-butanamine

  • Molecular FormulaC14H18FN3OS
  • Average mass295.376 Da
  • Monoisotopic mass295.115448 Da
  • ChemSpider ID25024064

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-1-{5-[(3-Fluorbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-methyl-1-butanamin [German] [ACD/IUPAC Name]
(1S)-1-{5-[(3-Fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-methyl-1-butanamine [ACD/IUPAC Name]
(1S)-1-{5-[(3-Fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-méthyl-1-butanamine [French] [ACD/IUPAC Name]
1,3,4-Oxadiazole-2-methanamine, 5-[[(3-fluorophenyl)methyl]thio]-α-(1-methylpropyl)-, (αS)- [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: 416.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 205.9±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 79.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 3.63
ACD/KOC (pH 5.5): 43.69
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 36.95
ACD/KOC (pH 7.4): 444.83
Polar Surface Area: 90 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 239.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement