Product Name

  • Name

    3-ethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxooxazolidin-4-one

  • EINECS 255-417-2
  • CAS No. 41504-26-1
  • Density 1.27 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H16N2O2S
  • Boiling Point 327.4 °C at 760 mmHg
  • Molecular Weight 252.3326
  • Flash Point 151.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 41504-26-1 (3-ethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxooxazolidin-4-one)
  • Hazard Symbols
  • Synonyms (5Z)-3-ethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylidene-oxazolidin-4-one;4-oxazolidinone, 3-ethyl-5-[2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxo-;
  • PSA 64.87000
  • LogP 1.51920

3-Ethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxooxazolidin-4-one Specification

The CAS register number of 3-Ethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxooxazolidin-4-one is 41504-26-1. It also can be called as 4-oxazolidinone, 3-ethyl-5-[2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxo- and the IUPAC name about this chemical is (5E)-3-ethyl-5-[(2Z)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one. The molecular formula about this chemical is C12H16N2O2S and the molecular weight is 252.33.

Physical properties about 3-Ethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxooxazolidin-4-one are: (1)ACD/LogP: 1.25; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 64.87Å2; (5)Index of Refraction: 1.623; (6)Molar Refractivity: 69.61 cm3; (7)Molar Volume: 197.2 cm3; (8)Polarizability: 27.59x10-24cm3; (9)Surface Tension: 57.9 dyne/cm; (10)Enthalpy of Vaporization: 56.96 kJ/mol; (11)Boiling Point: 327.4 °C at 760 mmHg; (12)Vapour Pressure: 0.000203 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(OC(=S)N1CC)=CC=C2N(C)CCC2
(2)InChI: InChI=1/C12H16N2O2S/c1-3-14-11(15)10(16-12(14)17)7-6-9-5-4-8-13(9)2/h6-7H,3-5,8H2,1-2H3
(3)InChIKey: YADMFLGOGVPZGG-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C12H16N2O2S/c1-3-14-11(15)10(16-12(14)17)7-6-9-5-4-8-13(9)2/h6-7H,3-5,8H2,1-2H3
(5)Std. InChIKey: YADMFLGOGVPZGG-UHFFFAOYSA-N

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