ChemSpider 2D Image | 2-{[(2-Acetamido-1,3-thiazol-4-yl)methyl]sulfanyl}nicotinic acid | C12H11N3O3S2

2-{[(2-Acetamido-1,3-thiazol-4-yl)methyl]sulfanyl}nicotinic acid

  • Molecular FormulaC12H11N3O3S2
  • Average mass309.364 Da
  • Monoisotopic mass309.024170 Da
  • ChemSpider ID22752732

More details:

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

2-{[(2-Acetamido-1,3-thiazol-4-yl)methyl]sulfanyl}nicotinic acid [ACD/IUPAC Name]
2-{[(2-Acetamido-1,3-thiazol-4-yl)methyl]sulfanyl}nicotinsäure [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[[[2-(acetylamino)-4-thiazolyl]methyl]thio]- [ACD/Index Name]
Acide 2-{[(2-acétamido-1,3-thiazol-4-yl)méthyl]sulfanyl}nicotinique [French] [ACD/IUPAC Name]
1020241-78-4 [RN]
2-({[2-(acetylamino)-1,3-thiazol-4-yl]methyl}sulfanyl)pyridine-3-carboxylic acid
2-({[2-(acetylamino)-1,3-thiazol-4-yl]methyl}thio)nicotinic acid
2-(2-Acetylamino-thiazol-4-ylmethylsulfanyl)-nicotinic acid
2-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid
2-{[2-(acetylamino)-1,3-thiazol-4-yl]methylthio}pyridine-3-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.680
    Molar Refractivity: 77.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.97
    ACD/LogD (pH 5.5): -0.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 146 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 84.2±5.0 dyne/cm
    Molar Volume: 204.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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