Found 432 results

Search term: MF = 'C_{13}H_{11}N_{3}O_{5}S'
ChemSpider 2D Image | 3-[5-(1,3-Benzodioxol-5-ylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanoic acid | C13H11N3O5S

3-[5-(1,3-Benzodioxol-5-ylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanoic acid

  • Molecular FormulaC13H11N3O5S
  • Average mass321.309 Da
  • Monoisotopic mass321.041931 Da
  • ChemSpider ID21801584

More details:

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

1,3,4-Thiadiazole-2-propanoic acid, 5-[(1,3-benzodioxol-5-ylamino)carbonyl]- [ACD/Index Name]
1142209-53-7 [RN]
3-[5-(1,3-Benzodioxol-5-ylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanoic acid [ACD/IUPAC Name]
3-[5-(1,3-Benzodioxol-5-ylcarbamoyl)-1,3,4-thiadiazol-2-yl]propansäure [German] [ACD/IUPAC Name]
3-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}propanoic acid
5-[(1,3-Benzodioxol-5-ylamino)carbonyl]-1,3,4-thiadiazole-2-propanoic acid
Acide 3-[5-(1,3-benzodioxol-5-ylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanoïque [French] [ACD/IUPAC Name]
1,3,4-thiadiazole-2-propanoic acid, 5-[(1,3-benzodioxol-5-ylamino)carbonyl]
3-(5-(Benzo[d][1,3]dioxol-5-ylcarbamoyl)-1,3,4-thiadiazol-2-yl)propanoic acid
3-(5-[(1,3-Benzodioxol-5-ylamino)carbonyl]-1,3,4-thiadiazol-2-yl)propanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12028263 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.703
    Molar Refractivity: 77.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.55
    ACD/LogD (pH 5.5): -0.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.68
    ACD/LogD (pH 7.4): -2.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 139 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 88.7±3.0 dyne/cm
    Molar Volume: 199.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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