2-ethyl-1λ6,2-thiazolidine-1,1-dione

• ChemBase ID: 290980
• Molecular Formular: C5H11NO2S
• Molecular Mass: 149.21134
• Monoisotopic Mass: 149.0510496
• SMILES: CCN1CCCS1(=O)=O
• Canonical SMILES: CCN1CCCS1(=O)=O
• InChI: InChI=1S/C5H11NO2S/c1-2-6-4-3-5-9(6,7)8/h2-5H2,1H3
• InChIKey: OPDWKYYREJZWQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1λ^6,2-thiazolidine-1,1-dione
• IUPAC Traditional name: 2-ethyl-1λ^6,2-thiazolidine-1,1-dione
• Synonyms: 2-Ethylisothiazolidine 1,1-dioxide

Database IDs

• CAS Number: 73343-04-1
• PubChem SID: 180676511
• PubChem CID: 10844546

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.6904654
• LogD (pH = 7.4): -0.6904654
• Log P: -0.6904654
• Molar Refractivity: 35.6291 cm^3
• Polarizability: 14.579489 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%