ChemSpider 2D Image | 4,4'-{(2S,3R)-1-[(3-Propyl-3H-diaziren-3-yl)sulfanyl]-2,3-pentanediyl}diphenol | C21H26N2O2S

4,4'-{(2S,3R)-1-[(3-Propyl-3H-diaziren-3-yl)sulfanyl]-2,3-pentanediyl}diphenol

  • Molecular FormulaC21H26N2O2S
  • Average mass370.508 Da
  • Monoisotopic mass370.171509 Da
  • ChemSpider ID57643600

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4,4'-{(2S,3R)-1-[(3-Propyl-3H-diaziren-3-yl)sulfanyl]-2,3-pentandiyl}diphenol [German] [ACD/IUPAC Name]
4,4'-{(2S,3R)-1-[(3-Propyl-3H-diaziren-3-yl)sulfanyl]-2,3-pentanediyl}diphenol [ACD/IUPAC Name]
4,4'-{(2S,3R)-1-[(3-Propyl-3H-diazirén-3-yl)sulfanyl]-2,3-pentanediyl}diphénol [French] [ACD/IUPAC Name]
Phenol, 4,4'-[(1R,2S)-1-ethyl-2-[[(3-propyl-3H-diazirin-3-yl)thio]methyl]-1,2-ethanediyl]bis- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 272.3±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 107.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6725.79
ACD/KOC (pH 5.5): 19119.75
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6692.12
ACD/KOC (pH 7.4): 19024.03
Polar Surface Area: 90 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 307.1±7.0 cm3

Click to predict properties on the Chemicalize site


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