ChemSpider 2D Image | 1,3-Butadiene-2-thiol | C4H6S

1,3-Butadiene-2-thiol

  • Molecular FormulaC4H6S
  • Average mass86.155 Da
  • Monoisotopic mass86.019020 Da
  • ChemSpider ID62933129

More details:

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

1,3-Butadien-2-thiol [German] [ACD/IUPAC Name]
1,3-Butadiene-2-thiol [ACD/Index Name] [ACD/IUPAC Name]
1,3-Butadiène-2-thiol [French] [ACD/IUPAC Name]
97797-50-7 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 103.3±13.0 °C at 760 mmHg
Vapour Pressure: 37.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.8±3.0 kJ/mol
Flash Point: 16.4±17.9 °C
Index of Refraction: 1.475
Molar Refractivity: 27.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.56
ACD/KOC (pH 5.5): 248.04
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 12.99
ACD/KOC (pH 7.4): 207.09
Polar Surface Area: 39 Å2
Polarizability: 11.0±0.5 10-24cm3
Surface Tension: 23.6±3.0 dyne/cm
Molar Volume: 98.6±3.0 cm3

Click to predict properties on the Chemicalize site


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