ChemSpider 2D Image | 1-Methyl-2-{2-[2-(methylsulfanyl)-10H-phenothiazin-10-yl]ethyl}piperidinium | C21H27N2S2

1-Methyl-2-{2-[2-(methylsulfanyl)-10H-phenothiazin-10-yl]ethyl}piperidinium

  • Molecular FormulaC21H27N2S2
  • Average mass371.582 Da
  • Monoisotopic mass371.161011 Da
  • ChemSpider ID21433725
  • Charge - Charge


More details:






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

10H-Phenothiazine, 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylthio)-, conjugate monoacid [ACD/Index Name]
1-Methyl-2-{2-[2-(methylsulfanyl)-10H-phenothiazin-10-yl]ethyl}piperidinium [ACD/IUPAC Name]
1-Methyl-2-{2-[2-(methylsulfanyl)-10H-phenothiazin-10-yl]ethyl}piperidinium [German] [ACD/IUPAC Name]
1-Méthyl-2-{2-[2-(méthylsulfanyl)-10H-phénothiazin-10-yl]éthyl}pipéridinium [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 515.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.7±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 21.12
ACD/KOC (pH 5.5): 41.19
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 99.57
ACD/KOC (pH 7.4): 194.19
Polar Surface Area: 58 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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