ChemSpider 2D Image | 4-{5-[(2-Carboxyethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid | C11H10N4O4S

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

  • Molecular FormulaC11H10N4O4S
  • Average mass294.286 Da
  • Monoisotopic mass294.042267 Da
  • ChemSpider ID21797334

More details:

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

4-{5-[(2-Carboxyethyl)sulfanyl]-1H-tetrazol-1-yl}benzoesäure [German] [ACD/IUPAC Name]
4-{5-[(2-Carboxyethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid [ACD/IUPAC Name]
Acide 4-{5-[(2-carboxyéthyl)sulfanyl]-1H-tétrazol-1-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[5-[(2-carboxyethyl)thio]-1H-tetrazol-1-yl]- [ACD/Index Name]
1091563-67-5 [RN]
4-[5-(2-carboxyethylsulfanyl)tetrazol-1-yl]benzoic acid
4-[5-(2-Carboxy-ethylsulfanyl)-tetrazol-1-yl]-benzoic acid
4-{5-[(2-carboxyethyl)sulfanyl]-1H-tetraazol-1-yl}benzoic acid
AGN-PC-0715UZ
AKOS005455978
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 609.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.2±3.0 kJ/mol
    Flash Point: 322.3±34.3 °C
    Index of Refraction: 1.732
    Molar Refractivity: 72.5±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.92
    ACD/LogD (pH 5.5): -2.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 144 Å2
    Polarizability: 28.7±0.5 10-24cm3
    Surface Tension: 75.9±7.0 dyne/cm
    Molar Volume: 181.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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