ChemSpider 2D Image | Methyl ({6-acetyl-7-[(E)-2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate | C14H17N5O3S

Methyl ({6-acetyl-7-[(E)-2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate

  • Molecular FormulaC14H17N5O3S
  • Average mass335.382 Da
  • Monoisotopic mass335.105194 Da
  • ChemSpider ID28611798

  • Double-bond stereo - Double-bond stereo

More details:

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

({6-Acétyl-7-[(E)-2-(diméthylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[6-acetyl-7-[(E)-2-(dimethylamino)ethenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-, methyl ester [ACD/Index Name]
Methyl ({6-acetyl-7-[(E)-2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate [ACD/IUPAC Name]
Methyl-({6-acetyl-7-[(E)-2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetat [German] [ACD/IUPAC Name]
[6-Acetyl-7-(2-dimethylamino-vinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl]-acetic acid methyl ester
1374510-84-5 [RN]
acetic acid, [[6-acetyl-7-[(E)-2-(dimethylamino)ethenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio], methyl ester
acetic acid, [[6-acetyl-7-[(E)-2-(dimethylamino)ethenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-, methyl ester
methyl ({6-acetyl-7-[(E)-2-(dimethylamino)ethenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
methyl ({6-acetyl-7-[(E)-2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}thio)acetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.636
    Molar Refractivity: 89.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 2.63
    ACD/KOC (pH 5.5): 50.98
    ACD/LogD (pH 7.4): 1.47
    ACD/BCF (pH 7.4): 7.62
    ACD/KOC (pH 7.4): 147.90
    Polar Surface Area: 115 Å2
    Polarizability: 35.4±0.5 10-24cm3
    Surface Tension: 50.4±7.0 dyne/cm
    Molar Volume: 248.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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