ChemSpider 2D Image | (3-{[(4-Hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-4-methyl-2-thienyl)acetic acid | C12H13N5O6S2

(3-{[(4-Hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-4-methyl-2-thienyl)acetic acid

  • Molecular FormulaC12H13N5O6S2
  • Average mass387.392 Da
  • Monoisotopic mass387.030731 Da
  • ChemSpider ID73995319

More details:






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

(3-{[(4-Hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-4-methyl-2-thienyl)acetic acid [ACD/IUPAC Name]
(3-{[(4-Hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-4-methyl-2-thienyl)essigsäure [German] [ACD/IUPAC Name]
2-Thiopheneacetic acid, 3-[[[[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-4-methyl- [ACD/Index Name]
Acide (3-{[(4-hydroxy-6-méthyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-4-méthyl-2-thiényl)acétique [French] [ACD/IUPAC Name]
150258-68-7 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.672
    Molar Refractivity: 85.6±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: -1.33
    ACD/LogD (pH 5.5): -2.90
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 208 Å2
    Polarizability: 33.9±0.5 10-24cm3
    Surface Tension: 99.9±3.0 dyne/cm
    Molar Volume: 228.6±3.0 cm3

    Click to predict properties on the Chemicalize site






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