ChemSpider 2D Image | (S)-1-(6-Ethoxy-2-(methylthio)pyrimidin-4-yl)pyrrolidin-3-ol | C11H17N3O2S

(S)-1-(6-Ethoxy-2-(methylthio)pyrimidin-4-yl)pyrrolidin-3-ol

  • Molecular FormulaC11H17N3O2S
  • Average mass255.337 Da
  • Monoisotopic mass255.104141 Da
  • ChemSpider ID28303719

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-[6-Ethoxy-2-(methylsulfanyl)-4-pyrimidinyl]-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3S)-1-[6-Ethoxy-2-(methylsulfanyl)-4-pyrimidinyl]-3-pyrrolidinol [ACD/IUPAC Name]
(3S)-1-[6-Éthoxy-2-(méthylsulfanyl)-4-pyrimidinyl]-3-pyrrolidinol [French] [ACD/IUPAC Name]
(S)-1-(6-Ethoxy-2-(methylthio)pyrimidin-4-yl)pyrrolidin-3-ol
1354018-60-2 [RN]
3-Pyrrolidinol, 1-[6-ethoxy-2-(methylthio)-4-pyrimidinyl]-, (3S)- [ACD/Index Name]
(3S)-1-(6-ethoxy-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-ol
(3S)-1-[6-ETHOXY-2-(METHYLSULFANYL)PYRIMIDIN-4-YL]PYRROLIDIN-3-OL
(S)-1-(6-Ethoxy-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-ol
(S)-1-(6-Ethoxy-2-methylsulfanyl-pyrimidin-4-yl)pyrrolidin-3-ol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 462.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 233.5±28.7 °C
Index of Refraction: 1.609
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 119.66
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.80
ACD/KOC (pH 7.4): 137.24
Polar Surface Area: 84 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 196.1±5.0 cm3

Click to predict properties on the Chemicalize site


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