ChemSpider 2D Image | 10-{2-[(2S)-1-Methyl-2-piperidinyl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine | C21H26N2S2

10-{2-[(2S)-1-Methyl-2-piperidinyl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine

  • Molecular FormulaC21H26N2S2
  • Average mass370.574 Da
  • Monoisotopic mass370.153748 Da
  • ChemSpider ID32809705
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

10-{2-[(2S)-1-Methyl-2-piperidinyl]ethyl}-2-(methylsulfanyl)-10H-phenothiazin [German] [ACD/IUPAC Name]
10-{2-[(2S)-1-Methyl-2-piperidinyl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine [ACD/IUPAC Name]
10-{2-[(2S)-1-Méthyl-2-pipéridinyl]éthyl}-2-(méthylsulfanyl)-10H-phénothiazine [French] [ACD/IUPAC Name]
10-{2-[(2s)-1-Methylpiperidin-2-Yl]ethyl}-2-(Methylsulfanyl)-10h-Phenothiazine
10H-Phenothiazine, 10-[2-[(2S)-1-methyl-2-piperidinyl]ethyl]-2-(methylthio)- [ACD/Index Name]
200-044-2 [EINECS]
50-52-2 [RN]
LZU
UNII-N3D6TG58NI

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

Density: 1.2±0.1 g/cm3
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: 1.677
Molar Refractivity: 112.8±0.4 cm3
#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: 57 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 299.6±5.0 cm3

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