ChemSpider 2D Image | 2H-Pyrrolo[3,4-d][1,2,3]thiadiazole | C4H3N3S

2H-Pyrrolo[3,4-d][1,2,3]thiadiazole

  • Molecular FormulaC4H3N3S
  • Average mass125.152 Da
  • Monoisotopic mass125.004768 Da
  • ChemSpider ID23979169

More details:

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

2H-Pyrrolo[3,4-d][1,2,3]thiadiazol [German] [ACD/IUPAC Name]
2H-Pyrrolo[3,4-d][1,2,3]thiadiazole [ACD/IUPAC Name]
2H-Pyrrolo[3,4-d][1,2,3]thiadiazole [French] [ACD/IUPAC Name]
2H-Pyrrolo[3,4-d]-1,2,3-thiadiazole [ACD/Index Name]
2H-Pyrrolo[3,4-d]-1,2,3-thiadiazole(9CI)
67409-30-7 [RN]
2H-Pyrrolo[3,4-d]-1,2,3-thiadiazole (9CI)

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

Density: 1.8±0.1 g/cm3
Boiling Point: 272.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 118.6±22.6 °C
Index of Refraction: 1.947
Molar Refractivity: 32.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.22
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 56.06
Polar Surface Area: 62 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 86.6±7.0 dyne/cm
Molar Volume: 68.2±7.0 cm3

Click to predict properties on the Chemicalize site


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