ChemSpider 2D Image | [5-(Dimethylsulfamoyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetic acid | C11H13N3O5S2

[5-(Dimethylsulfamoyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetic acid

  • Molecular FormulaC11H13N3O5S2
  • Average mass331.368 Da
  • Monoisotopic mass331.029663 Da
  • ChemSpider ID27452327

More details:

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

[5-(Dimethylsulfamoyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetic acid [ACD/IUPAC Name]
[5-(Dimethylsulfamoyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]essigsäure [German] [ACD/IUPAC Name]
Acide [5-(diméthylsulfamoyl)-6-méthyl-4-oxothiéno[2,3-d]pyrimidin-3(4H)-yl]acétique [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-3(4H)-acetic acid, 5-[(dimethylamino)sulfonyl]-6-methyl-4-oxo- [ACD/Index Name]
[5-[(dimethylamino)sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 612.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.2±34.3 °C
Index of Refraction: 1.702
Molar Refractivity: 78.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 203.1±7.0 cm3

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