Found 177 results

Search term: MF = 'C_{13}H_{14}O_{3}S_{2}'
ChemSpider 2D Image | 3-[(1-Benzothiophen-3-ylmethyl)sulfinyl]butanoic acid | C13H14O3S2

3-[(1-Benzothiophen-3-ylmethyl)sulfinyl]butanoic acid

  • Molecular FormulaC13H14O3S2
  • Average mass282.379 Da
  • Monoisotopic mass282.038422 Da
  • ChemSpider ID71505279

More details:

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

3-[(1-Benzothiophen-3-ylmethyl)sulfinyl]butanoic acid [ACD/IUPAC Name]
3-[(1-Benzothiophen-3-ylmethyl)sulfinyl]butansäure [German] [ACD/IUPAC Name]
Acide 3-[(1-benzothiophén-3-ylméthyl)sulfinyl]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-[(benzo[b]thien-3-ylmethyl)sulfinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 569.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.1±27.3 °C
Index of Refraction: 1.689
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.81
ACD/KOC (pH 5.5): 26.77
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 199.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement