ChemSpider 2D Image | methyl-3-isothiocyanatopropionate | C5H6NO2S

methyl-3-isothiocyanatopropionate

  • Molecular FormulaC5H6NO2S
  • Average mass144.172 Da
  • Monoisotopic mass144.012466 Da
  • ChemSpider ID25939476

  • Charge - Charge

More details:

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

3-Isothiocyanato-2-methylpropanoat [German] [ACD/IUPAC Name]
3-Isothiocyanato-2-methylpropanoate [ACD/IUPAC Name]
3-Isothiocyanato-2-méthylpropanoate [French] [ACD/IUPAC Name]
methyl-3-isothiocyanatopropionate
Propanoic acid, 3-isothiocyanato-2-methyl-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 292.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.5±6.0 kJ/mol
Flash Point: 130.7±22.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.83
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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