ChemSpider 2D Image | (2R)-5-(4-Chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-4-pentynoic acid | C18H15ClO4S

(2R)-5-(4-Chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-4-pentynoic acid

  • Molecular FormulaC18H15ClO4S
  • Average mass362.827 Da
  • Monoisotopic mass362.037964 Da
  • ChemSpider ID34996094

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-5-(4-Chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-4-pentynoic acid [ACD/IUPAC Name]
(2R)-5-(4-Chlorphenyl)-2-[(4-methylphenyl)sulfonyl]-4-pentinsäure [German] [ACD/IUPAC Name]
4-Pentynoic acid, 5-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-, (2R)- [ACD/Index Name]
Acide (2R)-5-(4-chlorophényl)-2-[(4-méthylphényl)sulfonyl]-4-pentynoïque [French] [ACD/IUPAC Name]
129731-11-9 [RN]
TIBEGLISENE
UNII-2U978AVF04

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

Density: 1.4±0.1 g/cm3
Boiling Point: 585.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 308.1±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.05
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 256.7±5.0 cm3

Click to predict properties on the Chemicalize site


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