ChemSpider 2D Image | (1Z)-4-Isothiocyanato-1-(methylsulfanyl)-1-butene | C6H9NS2

(1Z)-4-Isothiocyanato-1-(methylsulfanyl)-1-butene

  • Molecular FormulaC6H9NS2
  • Average mass159.272 Da
  • Monoisotopic mass159.017639 Da
  • ChemSpider ID30776908

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z)-4-Isothiocyanato-1-(methylsulfanyl)-1-buten [German] [ACD/IUPAC Name]
(1Z)-4-Isothiocyanato-1-(methylsulfanyl)-1-butene [ACD/IUPAC Name]
(1Z)-4-Isothiocyanato-1-(méthylsulfanyl)-1-butène [French] [ACD/IUPAC Name]
1-Butene, 4-isothiocyanato-1-(methylthio)-, (1Z)- [ACD/Index Name]
(1Z)-4-isothiocyanato-1-(methylsulfanyl)but-1-ene
(E)-4-Isothiocyanato-1-(methylthio)-1-butene
(Z)-4-Isothiocyanato-1-(methylthio)-1-butene
123954-93-8 [RN]
13028-50-7 [RN]

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 255.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 108.2±25.4 °C
Index of Refraction: 1.531
Molar Refractivity: 48.2±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.91
ACD/KOC (pH 5.5): 843.35
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.91
ACD/KOC (pH 7.4): 843.35
Polar Surface Area: 70 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 34.0±7.0 dyne/cm
Molar Volume: 155.9±7.0 cm3

Click to predict properties on the Chemicalize site


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