ChemSpider 2D Image | Methyl (6S)-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxylate | C14H15IN2O4S

Methyl (6S)-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxylate

  • Molecular FormulaC14H15IN2O4S
  • Average mass434.249 Da
  • Monoisotopic mass433.979706 Da
  • ChemSpider ID62305084

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(4-Hydroxy-3-iodo-5-méthoxyphényl)-6-méthyl-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
(6S)-6-(4-Hydroxy-3-iodo-5-méthoxyphényl)-4-méthyl-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-thioxo-, methyl ester, (4S)- [ACD/Index Name]
5-Pyrimidinecarboxylic acid, 1,6-dihydro-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-mercapto-4-methyl-, methyl ester, (6S)- [ACD/Index Name]
Methyl (4S)-4-(4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl (6S)-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-(4S)-4-(4-hydroxy-3-iod-5-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
Methyl-(6S)-6-(4-hydroxy-3-iod-5-methoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 466.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 236.2±31.5 °C
Index of Refraction: 1.686
Molar Refractivity: 92.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.17
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 119 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 241.7±7.0 cm3

Click to predict properties on the Chemicalize site


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