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

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

  • Molecular FormulaC4H3N3S
  • Average mass125.152 Da
  • Monoisotopic mass125.004768 Da
  • ChemSpider ID23979156

More details:

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

2H-Pyrrolo[3,2-d][1,2,3]thiadiazol [German] [ACD/IUPAC Name]
2H-Pyrrolo[3,2-d][1,2,3]thiadiazole [ACD/Index Name] [ACD/IUPAC Name]
2H-Pyrrolo[3,2-d][1,2,3]thiadiazole [French] [ACD/Index Name] [ACD/IUPAC Name]
2H-Pyrrolo[3,2-d][1,2,3]thiadiazole (9CI)
500722-42-9 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 223.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.0±3.0 kJ/mol
Flash Point: 88.8±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: -0.21
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.41
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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