ChemSpider 2D Image | Oxo{[5-(2-pentanyl)-1,3,4-thiadiazol-2-yl]amino}acetic acid | C9H13N3O3S

Oxo{[5-(2-pentanyl)-1,3,4-thiadiazol-2-yl]amino}acetic acid

  • Molecular FormulaC9H13N3O3S
  • Average mass243.283 Da
  • Monoisotopic mass243.067764 Da
  • ChemSpider ID26457405

More details:

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

{[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}formic acid
1158639-96-3 [RN]
Acetic acid, 2-[[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo- [ACD/Index Name]
Acide oxo{[5-(2-pentanyl)-1,3,4-thiadiazol-2-yl]amino}acétique [French] [ACD/IUPAC Name]
Oxo{[5-(2-pentanyl)-1,3,4-thiadiazol-2-yl]amino}acetic acid [ACD/IUPAC Name]
Oxo{[5-(2-pentanyl)-1,3,4-thiadiazol-2-yl]amino}essigsäure [German] [ACD/IUPAC Name]
([5-(1-Methylbutyl)-1,3,4-thiadiazol-2-yl]amino)(oxo)acetic acid
{[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]amino}(oxo)acetic acid
{[5-(1-Methylbutyl)-1,3,4-thiadiazol-2-yl]-amino}(oxo)acetic acid
2-Oxo-2-((5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl)amino)acetic acid
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    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: 1.598
    Molar Refractivity: 60.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.22
    ACD/LogD (pH 5.5): -2.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.74
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 120 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 64.3±3.0 dyne/cm
    Molar Volume: 176.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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