Found 58 results

Search term: MF = 'C_{18}H_{17}ClO_{3}S'
ChemSpider 2D Image | (2E)-3-(3-Chloro-4,5-dimethoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one | C18H17ClO3S

(2E)-3-(3-Chloro-4,5-dimethoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one

  • Molecular FormulaC18H17ClO3S
  • Average mass348.844 Da
  • Monoisotopic mass348.058685 Da
  • ChemSpider ID31285431

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Chlor-4,5-dimethoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(3-Chloro-4,5-dimethoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(3-Chloro-4,5-diméthoxyphényl)-1-[4-(méthylsulfanyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(3-chloro-4,5-dimethoxyphenyl)-1-[4-(methylthio)phenyl]-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 514.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.2±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1653.46
ACD/KOC (pH 5.5): 7003.65
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1653.46
ACD/KOC (pH 7.4): 7003.65
Polar Surface Area: 61 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 274.7±5.0 cm3

Click to predict properties on the Chemicalize site


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