ChemSpider 2D Image | 4-[5-(Phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]butanoic acid | C13H13N3O3S

4-[5-(Phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]butanoic acid

  • Molecular FormulaC13H13N3O3S
  • Average mass291.326 Da
  • Monoisotopic mass291.067749 Da
  • ChemSpider ID21801567

More details:

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

1,3,4-Thiadiazole-2-butanoic acid, 5-[(phenylamino)carbonyl]- [ACD/Index Name]
1142202-80-9 [RN]
4-[5-(Phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]butanoic acid [ACD/IUPAC Name]
4-[5-(Phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]butansäure [German] [ACD/IUPAC Name]
Acide 4-[5-(phénylcarbamoyl)-1,3,4-thiadiazol-2-yl]butanoïque [French] [ACD/IUPAC Name]
[1142202-80-9] [RN]
1,3,4-thiadiazole-2-butanoic acid, 5-[(phenylamino)carbonyl]
4-(5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl)butanoic acid
4-[5-(anilinocarbonyl)-1,3,4-thiadiazol-2-yl]butanoic acid
4-[5-(Anilinocarbonyl)-1,3,4-thiadiazol-2-yl]-butanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12028246 [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: 1.662
    Molar Refractivity: 75.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.57
    ACD/LogD (pH 5.5): -0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.15
    ACD/LogD (pH 7.4): -1.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 120 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 72.0±3.0 dyne/cm
    Molar Volume: 204.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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