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Search term: O[C@@H](CC1c2ccccc2Sc2ccccc12)CN1CCCC1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2S)-1-(1-Pyrrolidinyl)-3-(9H-thioxanthen-9-yl)-2-propanol | C20H23NOS

(2S)-1-(1-Pyrrolidinyl)-3-(9H-thioxanthen-9-yl)-2-propanol

  • Molecular FormulaC20H23NOS
  • Average mass325.468 Da
  • Monoisotopic mass325.150024 Da
  • ChemSpider ID35033390

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(1-Pyrrolidinyl)-3-(9H-thioxanthen-9-yl)-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-(1-Pyrrolidinyl)-3-(9H-thioxanthen-9-yl)-2-propanol [ACD/IUPAC Name]
(2S)-1-(1-Pyrrolidinyl)-3-(9H-thioxanthén-9-yl)-2-propanol [French] [ACD/IUPAC Name]
(2s)-1-(Pyrrolidin-1-Yl)-3-(9h-Thioxanthen-9-Yl)propan-2-Ol
1-Pyrrolidineethanol, α-(9H-thioxanthen-9-ylmethyl)-, (αS)- [ACD/Index Name]
0LU

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 241.0±25.4 °C
Index of Refraction: 1.632
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.61
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 2.83
ACD/KOC (pH 7.4): 16.67
Polar Surface Area: 49 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 273.3±3.0 cm3

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