Found 81 results

Search term: MF = 'C_{18}H_{19}BrN_{4}S'
ChemSpider 2D Image | (3R,5S)-4-(2-Bromo-4-methylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-triazolidine-3-thiol | C18H19BrN4S

(3R,5S)-4-(2-Bromo-4-methylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-triazolidine-3-thiol

  • Molecular FormulaC18H19BrN4S
  • Average mass403.339 Da
  • Monoisotopic mass402.051361 Da
  • ChemSpider ID62544734

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-4-(2-Brom-4-methylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-triazolidin-3-thiol [German] [ACD/IUPAC Name]
(3R,5S)-4-(2-Bromo-4-methylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-triazolidine-3-thiol [ACD/IUPAC Name]
(3R,5S)-4-(2-Bromo-4-méthylphényl)-5-(1H-indol-3-ylméthyl)-1,2,4-triazolidine-3-thiol [French] [ACD/IUPAC Name]
1,2,4-Triazolidine-3-thiol, 4-(2-bromo-4-methylphenyl)-5-(1H-indol-3-ylmethyl)-, (3R,5S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 599.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.1±30.1 °C
Index of Refraction: 1.753
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 203.52
ACD/KOC (pH 5.5): 1196.32
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 373.15
ACD/KOC (pH 7.4): 2193.41
Polar Surface Area: 82 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 259.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement