ChemSpider 2D Image | 2,3-Dihydro-1-benzothiophene-3-thiol | C8H8S2

2,3-Dihydro-1-benzothiophene-3-thiol

  • Molecular FormulaC8H8S2
  • Average mass168.279 Da
  • Monoisotopic mass168.006744 Da
  • ChemSpider ID65581556

More details:

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

2,3-Dihydro-1-benzothiophen-3-thiol [German] [ACD/IUPAC Name]
2,3-Dihydro-1-benzothiophene-3-thiol [ACD/IUPAC Name]
2,3-Dihydro-1-benzothiophène-3-thiol [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-thiol, 2,3-dihydro- [ACD/Index Name]
2172177-27-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 257.9±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.5±3.0 kJ/mol
Flash Point: 109.8±27.1 °C
Index of Refraction: 1.674
Molar Refractivity: 49.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.90
ACD/KOC (pH 5.5): 843.15
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 83.39
ACD/KOC (pH 7.4): 818.55
Polar Surface Area: 64 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 132.7±5.0 cm3

Click to predict properties on the Chemicalize site


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