ChemSpider 2D Image | 3-(Hydroxysulfanyl)propanenitrile | C3H5NOS

3-(Hydroxysulfanyl)propanenitrile

  • Molecular FormulaC3H5NOS
  • Average mass103.143 Da
  • Monoisotopic mass103.009186 Da
  • ChemSpider ID28578026

More details:

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

3-(Hydroxysulfanyl)propanenitrile [ACD/IUPAC Name]
3-(Hydroxysulfanyl)propanenitrile [French] [ACD/IUPAC Name]
3-(Hydroxysulfanyl)propannitril [German] [ACD/IUPAC Name]
Ethanesulfenic acid, 2-cyano- [ACD/Index Name]
839708-81-5 [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: 322.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.4±6.0 kJ/mol
Flash Point: 148.6±28.4 °C
Index of Refraction: 1.525
Molar Refractivity: 25.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.32
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.30
Polar Surface Area: 69 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 82.9±3.0 cm3

Click to predict properties on the Chemicalize site


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