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41504-26-1

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Basic Information
CAS No.: 41504-26-1
Name: 3-ethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxooxazolidin-4-one
Molecular Structure:
Molecular Structure of 41504-26-1 (3-ethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxooxazolidin-4-one)
Formula: C12H16N2O2S
Molecular Weight: 252.3326
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-;
EINECS: 255-417-2
Density: 1.27 g/cm3
Boiling Point: 327.4 °C at 760 mmHg
Flash Point: 151.8 °C
PSA: 64.87000
LogP: 1.51920
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  • 3-ETHYL-5-[(1-METHYL-2-PYRROLIDINYLIDENE)ETHYLIDENE]-2-THIOXOOXAZOLIDIN-4-ONE

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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