ChemSpider 2D Image | 2,2-Bis(hydroxymethyl)-1,3-propanediyl bis(thiocyanate) | C7H10N2O2S2

2,2-Bis(hydroxymethyl)-1,3-propanediyl bis(thiocyanate)

  • Molecular FormulaC7H10N2O2S2
  • Average mass218.296 Da
  • Monoisotopic mass218.018372 Da
  • ChemSpider ID30654281

More details:

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

2,2-Bis(hydroxymethyl)-1,3-propandiylbis(thiocyanat) [German] [ACD/IUPAC Name]
2,2-Bis(hydroxymethyl)-1,3-propanediyl bis(thiocyanate) [ACD/IUPAC Name]
Bis(thiocyanate) de 2,2-bis(hydroxyméthyl)-1,3-propanediyle [French] [ACD/IUPAC Name]
Thiocyanic acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester [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: 517.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 267.0±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 53.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 52.14
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.14
Polar Surface Area: 139 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 77.9±3.0 dyne/cm
Molar Volume: 153.8±3.0 cm3

Click to predict properties on the Chemicalize site


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