ChemSpider 2D Image | N-hydroxy-isothiocyanate | CHNOS

N-hydroxy-isothiocyanate

  • Molecular FormulaCHNOS
  • Average mass75.090 Da
  • Monoisotopic mass74.977882 Da
  • ChemSpider ID24769544

More details:






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

(Hydroxyimino)methanethione [ACD/IUPAC Name]
(Hydroxyimino)méthanethione [French] [ACD/IUPAC Name]
(Hydroxyimino)methanthion [German] [ACD/IUPAC Name]
Methanone, thioxo-, oxime [ACD/Index Name]
N-hydroxy-isothiocyanate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 128.8±23.0 °C at 760 mmHg
Vapour Pressure: 4.7±0.5 mmHg at 25°C
Enthalpy of Vaporization: 42.7±6.0 kJ/mol
Flash Point: 31.7±22.6 °C
Index of Refraction: 1.544
Molar Refractivity: 18.4±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.42
ACD/KOC (pH 5.5): 115.49
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 29.50
Polar Surface Area: 65 Å2
Polarizability: 7.3±0.5 10-24cm3
Surface Tension: 40.7±7.0 dyne/cm
Molar Volume: 58.3±7.0 cm3

Click to predict properties on the Chemicalize site






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