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Search term: BDAKRWHGDWIWEU-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Furfuryl isothiocyanate | C6H7NOS

2-Furfuryl isothiocyanate

  • Molecular FormulaC6H7NOS
  • Average mass141.191 Da
  • Monoisotopic mass141.024841 Da
  • ChemSpider ID49072812

More details:

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

(Z)-[(Furan-2-Ylmethyl)imino]methanethiol
[(2-Furylmethyl)imino]methanethiol [ACD/IUPAC Name]
[(2-Furylméthyl)imino]méthanethiol [French] [ACD/IUPAC Name]
[(2-Furylmethyl)imino]methanthiol [German] [ACD/IUPAC Name]
2-(Isothiocyanatomethyl)furan [ACD/IUPAC Name]
225-079-0 [EINECS]
2-Furfuryl isothiocyanate
Methanimidothioic acid, (2-furanylmethyl)- [ACD/Index Name]
MFCD00014112 [MDL number]
4650-60-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 200.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 75.0±27.9 °C
Index of Refraction: 1.569
Molar Refractivity: 39.4±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 38.2±7.0 dyne/cm
Molar Volume: 120.2±7.0 cm3

Click to predict properties on the Chemicalize site


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