ChemSpider 2D Image | 2-(5-{[(tert-butoxy)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetic acid | C9H13N3O4S

2-(5-{[(tert-butoxy)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetic acid

  • Molecular FormulaC9H13N3O4S
  • Average mass259.282 Da
  • Monoisotopic mass259.062683 Da
  • ChemSpider ID30783540

More details:

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

[5-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]acetic acid [ACD/IUPAC Name]
[5-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]essigsäure [German] [ACD/IUPAC Name]
1,3,4-Thiadiazole-2-acetic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
1782770-94-8 [RN]
2-(5-{[(tert-butoxy)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetic acid
Acide [5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]acétique [French] [ACD/IUPAC Name]
[1782770-94-8] [RN]
2-[2-(BOC-Amino)-1,3,4-thiadiazol-5-yl]acetic acid
2-[2-(BOC-Amino)-1,3,4-thiadiazol-5-yl]aceticacid
MFCD26940381

    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: 1.595
    Molar Refractivity: 61.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): -0.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.71
    ACD/LogD (pH 7.4): -2.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 130 Å2
    Polarizability: 24.5±0.5 10-24cm3
    Surface Tension: 64.4±3.0 dyne/cm
    Molar Volume: 181.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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