2-(furan-2-yl)-1,3-thiazolidine

• ChemBase ID: 12707
• Molecular Formular: C7H9NOS
• Molecular Mass: 155.21746
• Monoisotopic Mass: 155.04048491
• SMILES: c1cc(oc1)C1SCCN1
• Canonical SMILES: C1CSC(N1)c1ccco1
• InChI: InChI=1S/C7H9NOS/c1-2-6(9-4-1)7-8-3-5-10-7/h1-2,4,7-8H,3,5H2
• InChIKey: HXQNTXBXKKMEFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-1,3-thiazolidine
• IUPAC Traditional name: 2-(furan-2-yl)-1,3-thiazolidine
• Synonyms: 2-Furan-2-yl-thiazolidine

Database IDs

• CAS Number: 51859-60-0
• MDL Number: MFCD00222824
• PubChem SID: 160976014
• PubChem CID: 593153

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.10000498
• LogD (pH = 7.4): 1.0664537
• Log P: 1.1505247
• Molar Refractivity: 41.8324 cm^3
• Polarizability: 16.579123 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false