ChemSpider 2D Image | 2-[3-(3-Chlorophenyl)-3-oxopropyl]benzenecarbothialdehyde | C16H13ClOS

2-[3-(3-Chlorophenyl)-3-oxopropyl]benzenecarbothialdehyde

  • Molecular FormulaC16H13ClOS
  • Average mass288.792 Da
  • Monoisotopic mass288.037567 Da
  • ChemSpider ID44253755

More details:

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

2-[3-(3-Chlorophenyl)-3-oxopropyl]benzenecarbothialdehyde [ACD/IUPAC Name]
2-[3-(3-Chlorophényl)-3-oxopropyl]benzènecarbothialdéhyde [French] [ACD/IUPAC Name]
2-[3-(3-Chlorphenyl)-3-oxopropyl]benzolcarbothialdehyd [German] [ACD/IUPAC Name]
Benzenecarbothioaldehyde, 2-[3-(3-chlorophenyl)-3-oxopropyl]- [ACD/Index Name]
3'-chloro-3-(2-thiomethylphenyl)propiophenone
898754-60-4 [RN]
MFCD03843214 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 455.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.3±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1070.46
ACD/KOC (pH 5.5): 5130.58
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1070.46
ACD/KOC (pH 7.4): 5130.58
Polar Surface Area: 49 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 229.7±3.0 cm3

Click to predict properties on the Chemicalize site


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