ChemSpider 2D Image | 6-Chloro-N-[2-(methylsulfonyl)ethyl]-4-thiochromanamine | C12H16ClNO2S2

6-Chloro-N-[2-(methylsulfonyl)ethyl]-4-thiochromanamine

  • Molecular FormulaC12H16ClNO2S2
  • Average mass305.844 Da
  • Monoisotopic mass305.031097 Da
  • ChemSpider ID33252091

More details:

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

2H-1-Benzothiopyran-4-amine, 6-chloro-3,4-dihydro-N-[2-(methylsulfonyl)ethyl]- [ACD/Index Name]
6-Chlor-N-[2-(methylsulfonyl)ethyl]-4-thiochromanamin [German] [ACD/IUPAC Name]
6-Chloro-N-[2-(methylsulfonyl)ethyl]-4-thiochromanamine [ACD/IUPAC Name]
6-Chloro-N-[2-(méthylsulfonyl)éthyl]-4-thiochromanamine [French] [ACD/IUPAC 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: 494.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 253.1±28.7 °C
Index of Refraction: 1.616
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: 2.34
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 5.60
ACD/KOC (pH 5.5): 73.49
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.29
ACD/KOC (pH 7.4): 384.25
Polar Surface Area: 80 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 222.5±5.0 cm3

Click to predict properties on the Chemicalize site


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