ChemSpider 2D Image | 2-(Methylsulfanyl)-10-[3-(1-piperidinyl)propyl]-10H-phenothiazine | C21H26N2S2

2-(Methylsulfanyl)-10-[3-(1-piperidinyl)propyl]-10H-phenothiazine

  • Molecular FormulaC21H26N2S2
  • Average mass370.574 Da
  • Monoisotopic mass370.153748 Da
  • ChemSpider ID28721121

More details:

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

10H-Phenothiazine, 2-(methylthio)-10-[3-(1-piperidinyl)propyl]- [ACD/Index Name]
2-(Methylsulfanyl)-10-[3-(1-piperidinyl)propyl]-10H-phenothiazin [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)-10-[3-(1-piperidinyl)propyl]-10H-phenothiazine [ACD/IUPAC Name]
2-(Méthylsulfanyl)-10-[3-(1-pipéridinyl)propyl]-10H-phénothiazine [French] [ACD/IUPAC Name]
110570-77-9 [RN]
2-(Methylsulfanyl)-10-[3-(piperidin-1-yl)propyl]-10H-phenothiazine
2-(METHYLSULFANYL)-10-[3-(PIPERIDIN-1-YL)PROPYL]PHENOTHIAZINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.5±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 26.22
ACD/KOC (pH 5.5): 49.58
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 320.91
ACD/KOC (pH 7.4): 606.85
Polar Surface Area: 57 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 299.0±5.0 cm3

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