ChemSpider 2D Image | [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-1(9aH)-carboxamide | C9H8N4OS

[1,2,4]Triazolo[3,4-b][1,3]benzothiazole-1(9aH)-carboxamide

  • Molecular FormulaC9H8N4OS
  • Average mass220.251 Da
  • Monoisotopic mass220.041885 Da
  • ChemSpider ID28540360

More details:

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

[1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1(9aH)-carboxamid [German] [ACD/IUPAC Name]
[1,2,4]Triazolo[3,4-b][1,3]benzothiazole-1(9aH)-carboxamide [ACD/IUPAC Name]
[1,2,4]Triazolo[3,4-b][1,3]benzothiazole-1(9aH)-carboxamide [French] [ACD/IUPAC Name]
1,2,4-Triazolo[3,4-b]benzothiazole-1(9aH)-carboxamide [ACD/Index Name]
41814-82-8 [RN]
Benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-1(9aH)-carboxamide
[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-carboxamide
1,2,4-triazolo[3,4-b][1,3]benzothiazole-1-carboxamide
1,2,4triazolo[3,4-b]1,3benzothiazole-1-carboxamide
MFCD17015545 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 374.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 180.1±30.7 °C
Index of Refraction: 1.877
Molar Refractivity: 57.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.48
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.14
ACD/KOC (pH 7.4): 57.57
Polar Surface Area: 87 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 87.4±7.0 dyne/cm
Molar Volume: 126.8±7.0 cm3

Click to predict properties on the Chemicalize site


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