ChemSpider 2D Image | [5-Methyl-4-(1,4-thiazepan-4-ylsulfonyl)-2-thienyl]methanol | C11H17NO3S3

[5-Methyl-4-(1,4-thiazepan-4-ylsulfonyl)-2-thienyl]methanol

  • Molecular FormulaC11H17NO3S3
  • Average mass307.453 Da
  • Monoisotopic mass307.037048 Da
  • ChemSpider ID47125080

More details:

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

[5-Methyl-4-(1,4-thiazepan-4-ylsulfonyl)-2-thienyl]methanol [German] [ACD/IUPAC Name]
[5-Methyl-4-(1,4-thiazepan-4-ylsulfonyl)-2-thienyl]methanol [ACD/IUPAC Name]
[5-Méthyl-4-(1,4-thiazépan-4-ylsulfonyl)-2-thiényl]méthanol [French] [ACD/IUPAC Name]
2-Thiophenemethanol, 5-methyl-4-[(tetrahydro-1,4-thiazepin-4(5H)-yl)sulfonyl]- [ACD/Index 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: 512.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 263.9±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.82
ACD/KOC (pH 5.5): 216.05
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.82
ACD/KOC (pH 7.4): 216.05
Polar Surface Area: 120 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 221.6±3.0 cm3

Click to predict properties on the Chemicalize site


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