ChemSpider 2D Image | [1-Benzyl-4-(3,4-dichlorophenyl)-3-pyrrolidinyl]methanethiol | C18H19Cl2NS

[1-Benzyl-4-(3,4-dichlorophenyl)-3-pyrrolidinyl]methanethiol

  • Molecular FormulaC18H19Cl2NS
  • Average mass352.321 Da
  • Monoisotopic mass351.061523 Da
  • ChemSpider ID96433918

More details:






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

[1-Benzyl-4-(3,4-dichlorophenyl)-3-pyrrolidinyl]methanethiol [ACD/IUPAC Name]
[1-Benzyl-4-(3,4-dichlorophényl)-3-pyrrolidinyl]méthanethiol [French] [ACD/IUPAC Name]
[1-Benzyl-4-(3,4-dichlorphenyl)-3-pyrrolidinyl]methanthiol [German] [ACD/IUPAC Name]
3-Pyrrolidinemethanethiol, 4-(3,4-dichlorophenyl)-1-(phenylmethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 460.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.0±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 18.13
ACD/KOC (pH 5.5): 50.01
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 861.60
ACD/KOC (pH 7.4): 2376.16
Polar Surface Area: 42 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site






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