ChemSpider 2D Image | 4-[(5-Chloro-2-methylphenyl)sulfonyl]-1,4-thiazepane | C12H16ClNO2S2

4-[(5-Chloro-2-methylphenyl)sulfonyl]-1,4-thiazepane

  • Molecular FormulaC12H16ClNO2S2
  • Average mass305.844 Da
  • Monoisotopic mass305.031097 Da
  • ChemSpider ID31645977

More details:

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

1,4-Thiazepine, 4-[(5-chloro-2-methylphenyl)sulfonyl]hexahydro- [ACD/Index Name]
4-[(5-Chlor-2-methylphenyl)sulfonyl]-1,4-thiazepan [German] [ACD/IUPAC Name]
4-[(5-Chloro-2-methylphenyl)sulfonyl]-1,4-thiazepane [ACD/IUPAC Name]
4-[(5-Chloro-2-méthylphényl)sulfonyl]-1,4-thiazépane [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: 466.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.7±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 422.51
ACD/KOC (pH 5.5): 2637.40
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 422.51
ACD/KOC (pH 7.4): 2637.40
Polar Surface Area: 71 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 230.2±3.0 cm3

Click to predict properties on the Chemicalize site


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