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Search term: JXMBUSRWVOZFCK-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[3-(Acetylsulfanyl)benzoyl]-N-cyclopentylglycine | C16H19NO4S

N-[3-(Acetylsulfanyl)benzoyl]-N-cyclopentylglycine

  • Molecular FormulaC16H19NO4S
  • Average mass321.391 Da
  • Monoisotopic mass321.103485 Da
  • ChemSpider ID23196809

More details:

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

Glycine, N-[3-(acetylthio)benzoyl]-N-cyclopentyl- [ACD/Index Name]
N-[3-(Acetylsulfanyl)benzoyl]-N-cyclopentylglycin [German] [ACD/IUPAC Name]
N-[3-(Acetylsulfanyl)benzoyl]-N-cyclopentylglycine [ACD/IUPAC Name]
N-[3-(Acétylsulfanyl)benzoyl]-N-cyclopentylglycine [French] [ACD/IUPAC Name]
[(3-Acetylsulfanyl-benzoyl)-cyclopentyl-amino]-acetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 553.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.8±25.9 °C
Index of Refraction: 1.611
Molar Refractivity: 84.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.76
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 244.3±5.0 cm3

Click to predict properties on the Chemicalize site


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