ChemSpider 2D Image | (~2~H_1_)Methyl thiocyanate | C2H2DNS

(2H1)Methyl thiocyanate

  • Molecular FormulaC2H2DNS
  • Average mass74.123 Da
  • Monoisotopic mass74.004898 Da
  • ChemSpider ID67036813

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H1)Methyl thiocyanate [ACD/IUPAC Name]
(2H1)Methylthiocyanat [German] [ACD/IUPAC Name]
Thiocyanate de (2H1)méthyle [French] [ACD/IUPAC Name]
Thiocyanic acid, methyl-d ester [ACD/Index Name]
deuteromethyl thiocyanate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 123.1±3.0 °C at 760 mmHg
Vapour Pressure: 13.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.1±3.0 kJ/mol
Flash Point: 38.3±0.0 °C
Index of Refraction: 1.470
Molar Refractivity: 19.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 61.58
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 61.58
Polar Surface Area: 49 Å2
Polarizability: 7.6±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 68.9±3.0 cm3

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