Found 6 results

Search term: MF = 'C_{3}H_{4}BNO_{2}S'
ChemSpider 2D Image | Isothiazol-4-ylboronic acid | C3H4BNO2S

Isothiazol-4-ylboronic acid

  • Molecular FormulaC3H4BNO2S
  • Average mass128.945 Da
  • Monoisotopic mass129.005585 Da
  • ChemSpider ID30647150

More details:

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

1,2-Thiazol-4-ylboronic acid [ACD/IUPAC Name]
1,2-Thiazol-4-ylborsäure [German] [ACD/IUPAC Name]
1448859-47-9 [RN]
Acide 1,2-thiazol-4-ylboronique [French] [ACD/IUPAC Name]
Boronic acid, B-4-isothiazolyl- [ACD/Index Name]
Isothiazol-4-ylboronic acid
(1,2-thiazol-4-yl)boronic acid
[1448859-47-9] [RN]
isothazole-4-boronic acid
isothiazol-4-ylboronicacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 193.9±46.0 °C at 760 mmHg
    Vapour Pressure: 0.3±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.5±3.0 kJ/mol
    Flash Point: 71.1±29.0 °C
    Index of Refraction: 1.565
    Molar Refractivity: 29.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.18
    ACD/LogD (pH 5.5): 0.37
    ACD/BCF (pH 5.5): 1.01
    ACD/KOC (pH 5.5): 31.00
    ACD/LogD (pH 7.4): -1.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.11
    Polar Surface Area: 82 Å2
    Polarizability: 11.6±0.5 10-24cm3
    Surface Tension: 62.2±5.0 dyne/cm
    Molar Volume: 89.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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