ChemSpider 2D Image | 3-(3,4-Dimethylphenyl)-5-[(1,3-dioxolan-2-ylmethyl)sulfanyl]-6-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one | C25H25N3O4S3

3-(3,4-Dimethylphenyl)-5-[(1,3-dioxolan-2-ylmethyl)sulfanyl]-6-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one

  • Molecular FormulaC25H25N3O4S3
  • Average mass527.679 Da
  • Monoisotopic mass527.100708 Da
  • ChemSpider ID4251909

More details:

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

3-(3,4-Dimethylphenyl)-5-[(1,3-dioxolan-2-ylmethyl)sulfanyl]-6-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-on [German] [ACD/IUPAC Name]
3-(3,4-Dimethylphenyl)-5-[(1,3-dioxolan-2-ylmethyl)sulfanyl]-6-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one [ACD/IUPAC Name]
3-(3,4-Diméthylphényl)-5-[(1,3-dioxolan-2-ylméthyl)sulfanyl]-6-(4-éthoxyphényl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one [French] [ACD/IUPAC Name]
Thiazolo[4,5-d]pyrimidin-7(6H)-one, 3-(3,4-dimethylphenyl)-5-[(1,3-dioxolan-2-ylmethyl)thio]-6-(4-ethoxyphenyl)-2,3-dihydro-2-thioxo- [ACD/Index Name]
3-(3,4-dimethylphenyl)-5-[(1,3-dioxolan-2-ylmethyl)thio]-6-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.7±34.3 °C
Index of Refraction: 1.702
Molar Refractivity: 143.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 226.72
ACD/KOC (pH 5.5): 1689.16
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 226.72
ACD/KOC (pH 7.4): 1689.16
Polar Surface Area: 146 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 370.1±7.0 cm3

Click to predict properties on the Chemicalize site


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