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Search term: XCMQHIXDBSSJKY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-(Bromomethyl)-3-(3-pyridinyl)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazole | C10H9BrN4S

5-(Bromomethyl)-3-(3-pyridinyl)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazole

  • Molecular FormulaC10H9BrN4S
  • Average mass297.174 Da
  • Monoisotopic mass295.973114 Da
  • ChemSpider ID21751902

More details:

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

5-(Brommethyl)-3-(3-pyridinyl)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol [German] [ACD/IUPAC Name]
5-(Bromomethyl)-3-(3-pyridinyl)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazole [ACD/IUPAC Name]
5-(Bromométhyl)-3-(3-pyridinyl)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazole [French] [ACD/IUPAC Name]
Thiazolo[2,3-c]-1,2,4-triazole, 5-(bromomethyl)-5,6-dihydro-3-(3-pyridinyl)- [ACD/Index Name]
5-(bromomethyl)-3-pyridin-3-yl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazole
MFCD09802166 [MDL number]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 513.5±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.3±31.8 °C
Index of Refraction: 1.817
Molar Refractivity: 69.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.90
ACD/KOC (pH 5.5): 337.39
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.93
ACD/KOC (pH 7.4): 337.80
Polar Surface Area: 69 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 160.1±7.0 cm3

Click to predict properties on the Chemicalize site


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