ChemSpider 2D Image | 4-Methyl-3-thiophenethiol | C5H6S2

4-Methyl-3-thiophenethiol

  • Molecular FormulaC5H6S2
  • Average mass130.231 Da
  • Monoisotopic mass129.991089 Da
  • ChemSpider ID60792150

More details:

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

3-Thiophenethiol, 4-methyl- [ACD/Index Name]
4-Methyl-3-thiophenethiol [ACD/IUPAC Name]
4-Méthyl-3-thiophènethiol [French] [ACD/IUPAC Name]
4-Methyl-3-thiophenthiol [German] [ACD/IUPAC Name]
2527-77-7 [RN]
4-methylthiophene-3-thiol
MFCD22055883

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

Density: 1.2±0.1 g/cm3
Boiling Point: 191.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.0±3.0 kJ/mol
Flash Point: 69.6±21.8 °C
Index of Refraction: 1.615
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.22
ACD/KOC (pH 5.5): 470.10
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 5.53
ACD/KOC (pH 7.4): 66.35
Polar Surface Area: 67 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 107.8±3.0 cm3

Click to predict properties on the Chemicalize site


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