ChemSpider 2D Image | 7H-[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazin-6-ylacetic acid | C6H6N4O2S

7H-[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazin-6-ylacetic acid

  • Molecular FormulaC6H6N4O2S
  • Average mass198.202 Da
  • Monoisotopic mass198.021149 Da
  • ChemSpider ID21473278

More details:

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

7H-[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazin-6-ylacetic acid [ACD/IUPAC Name]
7H-[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazin-6-ylessigsäure [German] [ACD/IUPAC Name]
7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-6-acetic acid [ACD/Index Name]
Acide 7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylacétique [French] [ACD/IUPAC Name]
1017393-74-6 [RN]
2-(7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetic acid
2-{7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}acetic acid
6-(Carboxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
AG-C-07648
AGN-PC-04GHV2
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.9±0.1 g/cm3
    Boiling Point: 498.3±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.7±3.0 kJ/mol
    Flash Point: 255.2±29.3 °C
    Index of Refraction: 1.858
    Molar Refractivity: 47.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.39
    ACD/LogD (pH 5.5): -2.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 106 Å2
    Polarizability: 18.9±0.5 10-24cm3
    Surface Tension: 94.2±7.0 dyne/cm
    Molar Volume: 106.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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