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Search term: CAOZVLBWGZVSHE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Methyl-1,3-butadiene-1-thione | C5H6S

3-Methyl-1,3-butadiene-1-thione

  • Molecular FormulaC5H6S
  • Average mass98.166 Da
  • Monoisotopic mass98.019020 Da
  • ChemSpider ID74016846

More details:

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

1,3-Butadiene-1-thione, 3-methyl- [ACD/Index Name]
3-Methyl-1,3-butadien-1-thion [German] [ACD/IUPAC Name]
3-Methyl-1,3-butadiene-1-thione [ACD/IUPAC Name]
3-Méthyl-1,3-butadiène-1-thione [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 137.5±23.0 °C at 760 mmHg
Vapour Pressure: 8.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.9±3.0 kJ/mol
Flash Point: 36.9±22.6 °C
Index of Refraction: 1.498
Molar Refractivity: 32.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.18
ACD/KOC (pH 5.5): 208.31
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.18
ACD/KOC (pH 7.4): 208.31
Polar Surface Area: 32 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 17.6±3.0 dyne/cm
Molar Volume: 109.8±3.0 cm3

Click to predict properties on the Chemicalize site


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