ChemSpider 2D Image | 1-(1,3-Dithian-2-yl)-1,2,3-propanetriol | C7H14O3S2

1-(1,3-Dithian-2-yl)-1,2,3-propanetriol

  • Molecular FormulaC7H14O3S2
  • Average mass210.314 Da
  • Monoisotopic mass210.038437 Da
  • ChemSpider ID28574264

More details:

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

1-(1,3-Dithian-2-yl)-1,2,3-propanetriol [ACD/IUPAC Name]
1-(1,3-Dithian-2-yl)-1,2,3-propanetriol [French] [ACD/IUPAC Name]
1-(1,3-Dithian-2-yl)-1,2,3-propantriol [German] [ACD/IUPAC Name]
1,2,3-Propanetriol, 1-(1,3-dithian-2-yl)- [ACD/Index Name]
1,2,3-PROPANETRIOL, 1-(1,3-DITHIAN-2-YL)-, (1R,2R)- [ACD/Index Name]
218439-29-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 481.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 233.7±26.0 °C
Index of Refraction: 1.625
Molar Refractivity: 53.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.41
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.41
Polar Surface Area: 111 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 150.4±3.0 cm3

Click to predict properties on the Chemicalize site


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