3-ethyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

• ChemBase ID: 798438
• Molecular Formular: C11H14N2O2S2
• Molecular Mass: 270.37106
• Monoisotopic Mass: 270.0496697
• SMILES: O1C(=S)N(C(=O)C1=CC=C1SCCN1C)CC
• Canonical SMILES: CCN1C(=S)OC(=CC=C2SCCN2C)C1=O
• InChI: InChI=1S/C11H14N2O2S2/c1-3-13-10(14)8(15-11(13)16)4-5-9-12(2)6-7-17-9/h4-5H,3,6-7H2,1-2H3
• InChIKey: SAEAAROWQNNEDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
• IUPAC Traditional name: 3-ethyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
• Synonyms: 3-ethyl-5-((3-methylthiazolidin-2-ylidene)ethylidene)-2-thioxooxazolidin-4-one

Database IDs

• CAS Number: 35795-44-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0153136
• LogD (pH = 7.4): 2.1347666
• Log P: 2.1365235
• Molar Refractivity: 85.9592 cm^3
• Polarizability: 28.6223 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%