ChemSpider 2D Image | 5-[(2-Pyrimidinylsulfanyl)methyl]-2,1,3-benzothiadiazole | C11H8N4S2

5-[(2-Pyrimidinylsulfanyl)methyl]-2,1,3-benzothiadiazole

  • Molecular FormulaC11H8N4S2
  • Average mass260.338 Da
  • Monoisotopic mass260.019043 Da
  • ChemSpider ID21663912

More details:

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

2,1,3-Benzothiadiazole, 5-[(2-pyrimidinylthio)methyl]- [ACD/Index Name]
5-[(2-Pyrimidinylsulfanyl)methyl]-2,1,3-benzothiadiazol [German] [ACD/IUPAC Name]
5-[(2-Pyrimidinylsulfanyl)methyl]-2,1,3-benzothiadiazole [ACD/IUPAC Name]
5-[(2-Pyrimidinylsulfanyl)méthyl]-2,1,3-benzothiadiazole [French] [ACD/IUPAC Name]
2-(benzo[c]1,2,5-thiadiazol-5-ylmethylthio)pyrimidine
5-((pyrimidin-2-ylthio)methyl)benzo[c][1,2,5]thiadiazole

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

Density: 1.5±0.1 g/cm3
Boiling Point: 471.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 238.8±31.5 °C
Index of Refraction: 1.798
Molar Refractivity: 73.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 76 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 67.3±7.0 dyne/cm
Molar Volume: 172.0±7.0 cm3

Click to predict properties on the Chemicalize site


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