ChemSpider 2D Image | Ethyl 4-(1H-tetrazol-5-ylamino)thieno[2,3-d]pyrimidine-5-carboxylate | C10H9N7O2S

Ethyl 4-(1H-tetrazol-5-ylamino)thieno[2,3-d]pyrimidine-5-carboxylate

  • Molecular FormulaC10H9N7O2S
  • Average mass291.289 Da
  • Monoisotopic mass291.053833 Da
  • ChemSpider ID27360477

More details:

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

4-(1H-Tétrazol-5-ylamino)thiéno[2,3-d]pyrimidine-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(1H-tetrazol-5-ylamino)thieno[2,3-d]pyrimidine-5-carboxylate [ACD/IUPAC Name]
Ethyl-4-(1H-tetrazol-5-ylamino)thieno[2,3-d]pyrimidin-5-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-5-carboxylic acid, 4-(1H-tetrazol-5-ylamino)-, ethyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 541.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.4±32.9 °C
Index of Refraction: 1.759
Molar Refractivity: 73.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.53
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.69
Polar Surface Area: 147 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 100.0±3.0 dyne/cm
Molar Volume: 177.9±3.0 cm3

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