ChemSpider 2D Image | 3-(1,2,5-Dithiazepan-5-yl)-2-methyl-1-propanol | C8H17NOS2

3-(1,2,5-Dithiazepan-5-yl)-2-methyl-1-propanol

  • Molecular FormulaC8H17NOS2
  • Average mass207.357 Da
  • Monoisotopic mass207.075150 Da
  • ChemSpider ID61489310

More details:

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

3-(1,2,5-Dithiazepan-5-yl)-2-methyl-1-propanol [German] [ACD/IUPAC Name]
3-(1,2,5-Dithiazepan-5-yl)-2-methyl-1-propanol [ACD/IUPAC Name]
3-(1,2,5-Dithiazépan-5-yl)-2-méthyl-1-propanol [French] [ACD/IUPAC Name]
5H-1,2,5-Dithiazepine-5-propanol, tetrahydro-β-methyl- [ACD/Index Name]
1871966-23-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 335.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 67.0±6.0 kJ/mol
Flash Point: 156.6±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 53.60
Polar Surface Area: 74 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 182.7±3.0 cm3

Click to predict properties on the Chemicalize site


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