Found 69 results

Search term: MF = 'C_{22}H_{18}O_{2}S'
ChemSpider 2D Image | 3-[3-(1-Naphthyl)propyl]-1-benzothiophene-2-carboxylic acid | C22H18O2S

3-[3-(1-Naphthyl)propyl]-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC22H18O2S
  • Average mass346.442 Da
  • Monoisotopic mass346.102753 Da
  • ChemSpider ID29397712

More details:

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

3-[3-(1-Naphthyl)propyl]-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
3-[3-(1-Naphthyl)propyl]-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-[3-(1-naphtyl)propyl]-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-[3-(1-naphthalenyl)propyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.7±25.9 °C
Index of Refraction: 1.715
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.08
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 1076.47
ACD/KOC (pH 5.5): 1542.67
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 66.08
ACD/KOC (pH 7.4): 94.69
Polar Surface Area: 66 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 269.7±3.0 cm3

Click to predict properties on the Chemicalize site


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