ChemSpider 2D Image | 1-(5-Chloro-2,1,3-benzothiadiazol-4-yl)guanidine | C7H6ClN5S

1-(5-Chloro-2,1,3-benzothiadiazol-4-yl)guanidine

  • Molecular FormulaC7H6ClN5S
  • Average mass227.674 Da
  • Monoisotopic mass227.003250 Da
  • ChemSpider ID48059171

More details:

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

1-(5-Chlor-2,1,3-benzothiadiazol-4-yl)guanidin [German] [ACD/IUPAC Name]
1-(5-Chloro-2,1,3-benzothiadiazol-4-yl)guanidine [ACD/IUPAC Name]
1-(5-Chloro-2,1,3-benzothiadiazol-4-yl)guanidine [French] [ACD/IUPAC Name]
125292-37-7 [RN]
Guanidine, N-(5-chloro-2,1,3-benzothiadiazol-4-yl)- [ACD/Index Name]
N-(5-Chloro-2,1,3-benzothiadiazol-4-yl)guanidine
2-(5-chloro-2,1,3-benzothiadiazol-4-yl)guanidine
MFCD21236785
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-guanidine

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 361.5±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.7±3.0 kJ/mol
    Flash Point: 172.4±30.7 °C
    Index of Refraction: 1.886
    Molar Refractivity: 55.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.54
    ACD/LogD (pH 5.5): -0.54
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.02
    ACD/LogD (pH 7.4): 0.82
    ACD/BCF (pH 7.4): 2.02
    ACD/KOC (pH 7.4): 45.50
    Polar Surface Area: 116 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 88.1±7.0 dyne/cm
    Molar Volume: 119.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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