ChemSpider 2D Image | 1-[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]-3-azetidinecarboxylic acid | C12H12N2O4S2

1-[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]-3-azetidinecarboxylic acid

  • Molecular FormulaC12H12N2O4S2
  • Average mass312.365 Da
  • Monoisotopic mass312.023834 Da
  • ChemSpider ID26286503

More details:

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

1-[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[6-(methylsulfonyl)-2-benzothiazolyl]- [ACD/Index Name]
Acide 1-[6-(méthylsulfonyl)-1,3-benzothiazol-2-yl]-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
1-(6-methanesulfonyl-1,3-benzothiazol-2-yl)azetidine-3-carboxylic acid
1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)azetidine-3-carboxylic acid
1-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]azetidine-3-carboxylic acid
1283108-29-1 [RN]
AKOS015958074
F2145-0617
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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: 609.4±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: 322.4±34.3 °C
    Index of Refraction: 1.694
    Molar Refractivity: 75.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.55
    ACD/LogD (pH 5.5): -1.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 124 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 77.2±3.0 dyne/cm
    Molar Volume: 197.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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