ChemSpider 2D Image | (1Z)-1-(Methylsulfanyl)-1-buten-3-yne | C5H6S

(1Z)-1-(Methylsulfanyl)-1-buten-3-yne

  • Molecular FormulaC5H6S
  • Average mass98.166 Da
  • Monoisotopic mass98.019020 Da
  • ChemSpider ID35800137

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z)-1-(Methylsulfanyl)-1-buten-3-in [German] [ACD/IUPAC Name]
(1Z)-1-(Methylsulfanyl)-1-buten-3-yne [ACD/IUPAC Name]
(1Z)-1-(Méthylsulfanyl)-1-butén-3-yne [French] [ACD/IUPAC Name]
1-Buten-3-yne, 1-(methylthio)-, (1Z)- [ACD/Index Name]
1-BUTEN-3-YNE, 1-(METHYLTHIO)-, (Z)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 116.0±23.0 °C at 760 mmHg
Vapour Pressure: 22.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.0±3.0 kJ/mol
Flash Point: 17.3±19.3 °C
Index of Refraction: 1.519
Molar Refractivity: 31.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.00
ACD/KOC (pH 5.5): 338.46
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.00
ACD/KOC (pH 7.4): 338.46
Polar Surface Area: 25 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 102.4±3.0 cm3

Click to predict properties on the Chemicalize site


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