ChemSpider 2D Image | 1,3-(~2~H_6_)Propanedithiol | C3H2D6S2

1,3-(2H6)Propanedithiol

  • Molecular FormulaC3H2D6S2
  • Average mass114.263 Da
  • Monoisotopic mass114.044403 Da
  • ChemSpider ID24533350

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H6)Propane-1,3-dithiol
1,3-(2H6)Propandithiol [German] [ACD/IUPAC Name]
1,3-(2H6)Propanedithiol [ACD/IUPAC Name]
1,3-(2H6)Propanedithiol [French] [ACD/IUPAC Name]
1,3-Propane-d6-dithiol [ACD/Index Name]
1,3-Dimercaptopropane
1,3-Propane-d6-dithiol
1219803-51-6 [RN]
trimethylene dimercaptan

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

Density: 1.0±0.1 g/cm3
Boiling Point: 170.4±13.0 °C at 760 mmHg
Vapour Pressure: 2.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.0±3.0 kJ/mol
Flash Point: 58.9±0.0 °C
Index of Refraction: 1.510
Molar Refractivity: 31.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.98
ACD/KOC (pH 5.5): 193.42
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.94
ACD/KOC (pH 7.4): 192.76
Polar Surface Area: 78 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 106.2±3.0 cm3

Click to predict properties on the Chemicalize site


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