ChemSpider 2D Image | 2-Hydroxyethyl 1,2,5-dithiazepane-5-carboxylate | C7H13NO3S2

2-Hydroxyethyl 1,2,5-dithiazepane-5-carboxylate

  • Molecular FormulaC7H13NO3S2
  • Average mass223.313 Da
  • Monoisotopic mass223.033676 Da
  • ChemSpider ID58182679

More details:

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

1,2,5-Dithiazépane-5-carboxylate de 2-hydroxyéthyle [French] [ACD/IUPAC Name]
2-Hydroxyethyl 1,2,5-dithiazepane-5-carboxylate [ACD/IUPAC Name]
2-Hydroxyethyl-1,2,5-dithiazepan-5-carboxylat [German] [ACD/IUPAC Name]
5H-1,2,5-Dithiazepine-5-carboxylic acid, tetrahydro-, 2-hydroxyethyl ester [ACD/Index Name]
1864115-32-1 [RN]
MFCD29060330

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 378.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.4±6.0 kJ/mol
Flash Point: 182.6±27.9 °C
Index of Refraction: 1.583
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 64.42
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.36
ACD/KOC (pH 7.4): 64.42
Polar Surface Area: 100 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 165.8±3.0 cm3

Click to predict properties on the Chemicalize site


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