ChemSpider 2D Image | 4-Chloro-3-(methylsulfonyl)-N-(tetrahydro-3-thiophenylmethyl)aniline | C12H16ClNO2S2

4-Chloro-3-(methylsulfonyl)-N-(tetrahydro-3-thiophenylmethyl)aniline

  • Molecular FormulaC12H16ClNO2S2
  • Average mass305.844 Da
  • Monoisotopic mass305.031097 Da
  • ChemSpider ID65225786

More details:

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

3-Thiophenemethanamine, N-[4-chloro-3-(methylsulfonyl)phenyl]tetrahydro- [ACD/Index Name]
4-Chlor-3-(methylsulfonyl)-N-(tetrahydro-3-thiophenylmethyl)anilin [German] [ACD/IUPAC Name]
4-Chloro-3-(methylsulfonyl)-N-(tetrahydro-3-thiophenylmethyl)aniline [ACD/IUPAC Name]
4-Chloro-3-(méthylsulfonyl)-N-(tétrahydro-3-thiophénylméthyl)aniline [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 548.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.84
ACD/KOC (pH 5.5): 658.57
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.90
ACD/KOC (pH 7.4): 659.21
Polar Surface Area: 80 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 226.8±3.0 cm3

Click to predict properties on the Chemicalize site


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