ChemSpider 2D Image | 4-{5-[(2-Oxotetrahydro-3-furanyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid | C12H10N4O4S

4-{5-[(2-Oxotetrahydro-3-furanyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid

  • Molecular FormulaC12H10N4O4S
  • Average mass306.297 Da
  • Monoisotopic mass306.042267 Da
  • ChemSpider ID21797357

More details:

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

4-{5-[(2-Oxotetrahydro-3-furanyl)sulfanyl]-1H-tetrazol-1-yl}benzoesäure [German] [ACD/IUPAC Name]
4-{5-[(2-Oxotetrahydro-3-furanyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid [ACD/IUPAC Name]
Acide 4-{5-[(2-oxotétrahydro-3-furanyl)sulfanyl]-1H-tétrazol-1-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[5-[(tetrahydro-2-oxo-3-furanyl)thio]-1H-tetrazol-1-yl]- [ACD/Index Name]
1091552-80-5 [RN]
4-(5-((2-oxotetrahydrofuran-3-yl)thio)-1H-tetrazol-1-yl)benzoic acid
4-[5-(2-oxooxolan-3-yl)sulfanyltetrazol-1-yl]benzoic acid
4-[5-(2-Oxo-tetrahydro-furan-3-ylsulfanyl)-tetrazol-1-yl]-benzoic acid
4-{5-[(2-oxotetrahydro-3-furanyl)sulfanyl]-1H-tetraazol-1-yl}benzoic acid
4-{5-[(2-oxotetrahydrofuran-3-yl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
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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: 650.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.7±3.0 kJ/mol
    Flash Point: 347.1±34.3 °C
    Index of Refraction: 1.785
    Molar Refractivity: 75.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.70
    ACD/LogD (pH 5.5): -1.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 133 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 79.9±7.0 dyne/cm
    Molar Volume: 178.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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