ChemSpider 2D Image | 4-{[4-(Chloromethyl)phenyl]sulfonyl}-1,4-thiazepane | C12H16ClNO2S2

4-{[4-(Chloromethyl)phenyl]sulfonyl}-1,4-thiazepane

  • Molecular FormulaC12H16ClNO2S2
  • Average mass305.844 Da
  • Monoisotopic mass305.031097 Da
  • ChemSpider ID49076704

More details:

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

1,4-Thiazepine, 4-[[4-(chloromethyl)phenyl]sulfonyl]hexahydro- [ACD/Index Name]
4-{[4-(Chlormethyl)phenyl]sulfonyl}-1,4-thiazepan [German] [ACD/IUPAC Name]
4-{[4-(Chloromethyl)phenyl]sulfonyl}-1,4-thiazepane [ACD/IUPAC Name]
4-{[4-(Chlorométhyl)phényl]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: 469.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.5±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.43
ACD/KOC (pH 5.5): 775.62
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.43
ACD/KOC (pH 7.4): 775.62
Polar Surface Area: 71 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 229.7±3.0 cm3

Click to predict properties on the Chemicalize site


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