ChemSpider 2D Image | (Methylsulfanyl)methyl thiocyanate | C3H5NS2

(Methylsulfanyl)methyl thiocyanate

  • Molecular FormulaC3H5NS2
  • Average mass119.209 Da
  • Monoisotopic mass118.986336 Da
  • ChemSpider ID103871482

More details:

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

(Methylsulfanyl)methyl thiocyanate [ACD/IUPAC Name]
(Methylsulfanyl)methylthiocyanat [German] [ACD/IUPAC Name]
13880-79-0 [RN]
Thiocyanate de (méthylsulfanyl)méthyle [French] [ACD/IUPAC Name]
Thiocyanic acid, (methylthio)methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 205.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 77.8±22.6 °C
Index of Refraction: 1.554
Molar Refractivity: 31.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.95
ACD/KOC (pH 5.5): 139.46
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.95
ACD/KOC (pH 7.4): 139.46
Polar Surface Area: 74 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 99.4±3.0 cm3

Click to predict properties on the Chemicalize site


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