ChemSpider 2D Image | 3-{5-[(3-Methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}propanoic acid | C13H13N3O3S

3-{5-[(3-Methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}propanoic acid

  • Molecular FormulaC13H13N3O3S
  • Average mass291.326 Da
  • Monoisotopic mass291.067749 Da
  • ChemSpider ID21801574

More details:

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

1,3,4-Thiadiazole-2-propanoic acid, 5-[[(3-methylphenyl)amino]carbonyl]- [ACD/Index Name]
1142209-36-6 [RN]
3-{5-[(3-Methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}propanoic acid [ACD/IUPAC Name]
3-{5-[(3-Methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{5-[(3-méthylphényl)carbamoyl]-1,3,4-thiadiazol-2-yl}propanoïque [French] [ACD/IUPAC Name]
[1142209-36-6] [RN]
1,3,4-thiadiazole-2-propanoic acid, 5-[[(3-methylphenyl)amino]carbonyl]
3-(5-([(3-METHYLPHENYL)AMINO]CARBONYL)-1,3,4-THIADIAZOL-2-YL)PROPANOIC ACID
3-(5-(m-Tolylcarbamoyl)-1,3,4-thiadiazol-2-yl)propanoic acid
3-(5-{[(3-Methylphenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12028253 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.665
    Molar Refractivity: 76.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): -0.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.43
    ACD/LogD (pH 7.4): -1.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 120 Å2
    Polarizability: 30.1±0.5 10-24cm3
    Surface Tension: 71.3±3.0 dyne/cm
    Molar Volume: 204.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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