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Search term: YBTSCTHXWDQAOS-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 7-[(4-Methylphenyl)sulfanyl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole | C18H20N2S

7-[(4-Methylphenyl)sulfanyl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

  • Molecular FormulaC18H20N2S
  • Average mass296.430 Da
  • Monoisotopic mass296.134705 Da
  • ChemSpider ID26343486

More details:

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

7-[(4-Methylphenyl)sulfanyl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol [German] [ACD/IUPAC Name]
7-[(4-Methylphenyl)sulfanyl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole [ACD/IUPAC Name]
7-[(4-Méthylphényl)sulfanyl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole [French] [ACD/IUPAC Name]
Pyrazino[1,2-a]indole, 1,2,3,4,10,10a-hexahydro-7-[(4-methylphenyl)thio]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 503.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 258.0±30.1 °C
Index of Refraction: 1.686
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 2.16
ACD/KOC (pH 5.5): 10.23
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 88.63
ACD/KOC (pH 7.4): 418.89
Polar Surface Area: 41 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 238.3±5.0 cm3

Click to predict properties on the Chemicalize site


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