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Search term: 32675171 (Found by CSID)
ChemSpider 2D Image | S-Methyl (2R)-4-hydroxy-2-(2-hydroxy-2-propanyl)-6-methyl-2,3-dihydro-1-benzofuran-5-carbothioate | C14H18O4S

S-Methyl (2R)-4-hydroxy-2-(2-hydroxy-2-propanyl)-6-methyl-2,3-dihydro-1-benzofuran-5-carbothioate

  • Molecular FormulaC14H18O4S
  • Average mass282.355 Da
  • Monoisotopic mass282.092590 Da
  • ChemSpider ID32675171

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-4-Hydroxy-2-(2-hydroxy-2-propanyl)-6-méthyl-2,3-dihydro-1-benzofurane-5-carbothioate de S-méthyle [French] [ACD/IUPAC Name]
5-Benzofurancarbothioic acid, 2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-6-methyl-, S-methyl ester, (2R)- [ACD/Index Name]
S-Methyl (2R)-4-hydroxy-2-(2-hydroxy-2-propanyl)-6-methyl-2,3-dihydro-1-benzofuran-5-carbothioate [ACD/IUPAC Name]
S-Methyl-(2R)-4-hydroxy-2-(2-hydroxy-2-propanyl)-6-methyl-2,3-dihydro-1-benzofuran-5-carbothioat [German] [ACD/IUPAC Name]
eurothiocin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.1±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: 233.3±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.95
ACD/KOC (pH 5.5): 1422.18
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 103.36
ACD/KOC (pH 7.4): 821.47
Polar Surface Area: 92 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 217.0±3.0 cm3

Click to predict properties on the Chemicalize site


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