ChemSpider 2D Image | 7,7-Dimethyl-4-(2-thienylsulfonyl)-1,4-thiazepane 1-oxide | C11H17NO3S3

7,7-Dimethyl-4-(2-thienylsulfonyl)-1,4-thiazepane 1-oxide

  • Molecular FormulaC11H17NO3S3
  • Average mass307.453 Da
  • Monoisotopic mass307.037048 Da
  • ChemSpider ID64568285

More details:

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

1,4-Thiazepine, hexahydro-7,7-dimethyl-4-(2-thienylsulfonyl)-, 1-oxide [ACD/Index Name]
1-Oxyde de 7,7-diméthyl-4-(2-thiénylsulfonyl)-1,4-thiazépane [French] [ACD/IUPAC Name]
7,7-Dimethyl-4-(2-thienylsulfonyl)-1,4-thiazepan-1-oxid [German] [ACD/IUPAC Name]
7,7-Dimethyl-4-(2-thienylsulfonyl)-1,4-thiazepane 1-oxide [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: 512.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 263.8±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 76.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.80
ACD/KOC (pH 5.5): 215.87
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.80
ACD/KOC (pH 7.4): 215.87
Polar Surface Area: 110 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 213.4±5.0 cm3

Click to predict properties on the Chemicalize site


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