Found 20 results

Search term: MF = 'C_{13}H_{12}INO_{5}S'
ChemSpider 2D Image | 5-{[(1S)-1-(2-Furyl)ethyl]sulfamoyl}-2-iodobenzoic acid | C13H12INO5S

5-{[(1S)-1-(2-Furyl)ethyl]sulfamoyl}-2-iodobenzoic acid

  • Molecular FormulaC13H12INO5S
  • Average mass421.207 Da
  • Monoisotopic mass420.948090 Da
  • ChemSpider ID49715003

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-{[(1S)-1-(2-Furyl)ethyl]sulfamoyl}-2-iodbenzoesäure [German] [ACD/IUPAC Name]
5-{[(1S)-1-(2-Furyl)ethyl]sulfamoyl}-2-iodobenzoic acid [ACD/IUPAC Name]
Acide 5-{[(1S)-1-(2-furyl)éthyl]sulfamoyl}-2-iodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[[(1S)-1-(2-furanyl)ethyl]amino]sulfonyl]-2-iodo- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 510.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.6±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.46
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 235.4±3.0 cm3

Click to predict properties on the Chemicalize site


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