ChemSpider 2D Image | (S)-1-(6-Methoxy-2-(methylthio)pyrimidin-4-yl)pyrrolidin-3-ol | C10H15N3O2S

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

  • Molecular FormulaC10H15N3O2S
  • Average mass241.310 Da
  • Monoisotopic mass241.088501 Da
  • ChemSpider ID28303672

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-[6-Methoxy-2-(methylsulfanyl)-4-pyrimidinyl]-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3S)-1-[6-Methoxy-2-(methylsulfanyl)-4-pyrimidinyl]-3-pyrrolidinol [ACD/IUPAC Name]
(3S)-1-[6-Méthoxy-2-(méthylsulfanyl)-4-pyrimidinyl]-3-pyrrolidinol [French] [ACD/IUPAC Name]
(S)-1-(6-Methoxy-2-(methylthio)pyrimidin-4-yl)pyrrolidin-3-ol
1354018-67-9 [RN]
3-Pyrrolidinol, 1-[6-methoxy-2-(methylthio)-4-pyrimidinyl]-, (3S)- [ACD/Index Name]
(3S)-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-ol
(3S)-1-[6-METHOXY-2-(METHYLSULFANYL)PYRIMIDIN-4-YL]PYRROLIDIN-3-OL
(S)-1-(6-Methoxy-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-ol
(S)-1-(6-Methoxy-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: 455.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 229.5±28.7 °C
Index of Refraction: 1.621
Molar Refractivity: 63.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.29
ACD/KOC (pH 5.5): 80.11
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.50
ACD/KOC (pH 7.4): 85.31
Polar Surface Area: 84 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 179.8±5.0 cm3

Click to predict properties on the Chemicalize site


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