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Search term: QHEKEKSMRXTAKP-QINSGFPZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Ethyl [(2Z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2H)-yl]acetate | C12H14N4O3S

Ethyl [(2Z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2H)-yl]acetate

  • Molecular FormulaC12H14N4O3S
  • Average mass294.330 Da
  • Monoisotopic mass294.078674 Da
  • ChemSpider ID26325850

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2Z)-2-(Carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2H)-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 2-[(aminoiminomethyl)imino]-6-hydroxy-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl [(2Z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2H)-yl]acetate [ACD/IUPAC Name]
Ethyl-[(2Z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2H)-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 503.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 258.5±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 74.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 35.64
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 43.82
Polar Surface Area: 137 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 192.6±7.0 cm3

Click to predict properties on the Chemicalize site


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