Found 177 results

Search term: MF = 'C_{13}H_{14}O_{3}S_{2}'
ChemSpider 2D Image | 3-{[(2-Methoxyethyl)sulfanyl]methyl}-1-benzothiophene-2-carboxylic acid | C13H14O3S2

3-{[(2-Methoxyethyl)sulfanyl]methyl}-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC13H14O3S2
  • Average mass282.379 Da
  • Monoisotopic mass282.038422 Da
  • ChemSpider ID34482535

More details:

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

3-{[(2-Methoxyethyl)sulfanyl]methyl}-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
3-{[(2-Methoxyethyl)sulfanyl]methyl}-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-{[(2-méthoxyéthyl)sulfanyl]méthyl}-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-[[(2-methoxyethyl)thio]methyl]- [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: 460.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 232.0±27.3 °C
Index of Refraction: 1.658
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 7.58
ACD/KOC (pH 5.5): 39.60
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.39
Polar Surface Area: 100 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 211.7±3.0 cm3

Click to predict properties on the Chemicalize site


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