Product Name

  • Name

    5-[[(tert-Butoxy)carbonyl]amino]-4-thiazolecarboxylic acid ethyl ester

  • EINECS
  • CAS No. 864436-92-0
  • Density 1.263 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H16N2O4S
  • Boiling Point 347.441 °C at 760 mmHg
  • Molecular Weight 272.32
  • Flash Point 163.927 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 864436-92-0 (5-[[(tert-Butoxy)carbonyl]amino]-4-thiazolecarboxylic acid ethyl ester)
  • Hazard Symbols
  • Synonyms ethyl 5-[(tert-butoxycarbonyl)amino]-1,3-thiazole-4-carboxylate;QC-4493;ethyl 5-(tert-butoxycarbonylamino)thiazole-4-carboxylate;RD-0239;
  • PSA 109.25000
  • LogP 2.68040

5-[[(tert-Butoxy)carbonyl]amino]-4-thiazolecarboxylic acid ethyl ester Specification

The Ethyl 5-(tert-butoxycarbonylamino)thiazole-4-carboxylate is an organic compound with the formula C11H16N2O4S. With the CAS registry number 864436-92-0, the systematic name of this chemical is ethyl 5-(tert-butoxycarbonylamino)thiazole-4-carboxylate.

Physical properties about Ethyl 5-(tert-butoxycarbonylamino)thiazole-4-carboxylate are: (1)ACD/LogP: 3.14; (2)ACD/LogD (pH 5.5): 3.144; (3)ACD/LogD (pH 7.4): 3.144; (4)ACD/BCF (pH 5.5): 144.471; (5)ACD/BCF (pH 7.4): 144.471; (6)ACD/KOC (pH 5.5): 1223.426; (7)ACD/KOC (pH 7.4): 1223.425; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 105.76 Å2; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 69.016 cm3; (14)Molar Volume: 215.55 cm3; (15)Polarizability: 27.36×10-24cm3; (16)Surface Tension: 47.902 dyne/cm; (17)Density: 1.263 g/cm3; (18)Flash Point: 163.927 °C; (19)Enthalpy of Vaporization: 59.172 kJ/mol; (20)Boiling Point: 347.441 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c(scn1)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C11H16N2O4S/c1-5-16-9(14)7-8(18-6-12-7)13-10(15)17-11(2,3)4/h6H,5H2,1-4H3,(H,13,15)
(3)InChIKey: XXOYQRFHEAPJOS-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H16N2O4S/c1-5-16-9(14)7-8(18-6-12-7)13-10(15)17-11(2,3)4/h6H,5H2,1-4H3,(H,13,15)
(5)Std. InChIKey: XXOYQRFHEAPJOS-UHFFFAOYSA-N

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