Found 1905 results

Search term: MF = 'C_{16}H_{20}O_{3}S'
ChemSpider 2D Image | (1R,2S)-2-[4-(Ethylsulfanyl)benzoyl]cyclohexanecarboxylic acid | C16H20O3S

(1R,2S)-2-[4-(Ethylsulfanyl)benzoyl]cyclohexanecarboxylic acid

  • Molecular FormulaC16H20O3S
  • Average mass292.393 Da
  • Monoisotopic mass292.113312 Da
  • ChemSpider ID26495872

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-[4-(Ethylsulfanyl)benzoyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,2S)-2-[4-(Ethylsulfanyl)benzoyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2S)-2-[4-(éthylsulfanyl)benzoyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-[4-(ethylthio)benzoyl]-, (1R,2S)- [ACD/Index Name]
844856-75-3 [RN]
933674-61-4 [RN]
95%
cis-2-(4-Thioethylbenzoyl)cyclohexane-1-carboxylic acid
cis-2-(4-Thioethylbenzoyl)cyclohexane-1-carboxylicacid
MFCD06201416

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

Density: 1.2±0.1 g/cm3
Boiling Point: 489.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.9±27.3 °C
Index of Refraction: 1.583
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 30.19
ACD/KOC (pH 5.5): 181.94
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.95
Polar Surface Area: 80 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 241.6±5.0 cm3

Click to predict properties on the Chemicalize site


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