ChemSpider 2D Image | (2E)-2-Penten-4-yne-1-thiol | C5H6S

(2E)-2-Penten-4-yne-1-thiol

  • Molecular FormulaC5H6S
  • Average mass98.166 Da
  • Monoisotopic mass98.019020 Da
  • ChemSpider ID63000233

More details:

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

(2E)-2-Penten-4-in-1-thiol [German] [ACD/IUPAC Name]
(2E)-2-Penten-4-yne-1-thiol [ACD/IUPAC Name]
(2E)-2-Pentén-4-yne-1-thiol [French] [ACD/IUPAC Name]
2-Penten-4-yne-1-thiol, (2E)- [ACD/Index Name]
26068-33-7 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 148.5±23.0 °C at 760 mmHg
Vapour Pressure: 5.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.0±3.0 kJ/mol
Flash Point: 45.3±20.6 °C
Index of Refraction: 1.517
Molar Refractivity: 31.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.76
ACD/KOC (pH 5.5): 239.05
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.51
ACD/KOC (pH 7.4): 234.91
Polar Surface Area: 39 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 102.5±3.0 cm3

Click to predict properties on the Chemicalize site


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