ChemSpider 2D Image | (2E)-1-(2-Chloro-10H-phenothiazin-10-yl)-3-(4-methoxyphenyl)-2-propen-1-one | C22H16ClNO2S

(2E)-1-(2-Chloro-10H-phenothiazin-10-yl)-3-(4-methoxyphenyl)-2-propen-1-one

  • Molecular FormulaC22H16ClNO2S
  • Average mass393.886 Da
  • Monoisotopic mass393.059021 Da
  • ChemSpider ID44268844

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(2-Chlor-10H-phenothiazin-10-yl)-3-(4-methoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2-Chloro-10H-phenothiazin-10-yl)-3-(4-methoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2-Chloro-10H-phénothiazin-10-yl)-3-(4-méthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(2-chloro-10H-phenothiazin-10-yl)-3-(4-methoxyphenyl)-, (2E)- [ACD/Index Name]
(2E)-1-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE
(2E)-1-(2-CHLOROPHENOTHIAZIN-10-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE
10H-phenothiazine, 2-chloro-10-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propenyl]-
2-chloro-10-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-10H-phenothiazine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 307.9±30.1 °C
Index of Refraction: 1.695
Molar Refractivity: 112.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8895.55
ACD/KOC (pH 5.5): 23356.50
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8895.55
ACD/KOC (pH 7.4): 23356.50
Polar Surface Area: 55 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 292.7±3.0 cm3

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