sodium thiophene-2-sulfinate

• ChemBase ID: 237310
• Molecular Formular: C4H3NaO2S2
• Molecular Mass: 170.18519
• Monoisotopic Mass: 169.94721562
• SMILES: S(=O)(c1sccc1)[O-].[Na+]
• Canonical SMILES: [O-]S(=O)c1cccs1.[Na+]
• InChI: InChI=1S/C4H4O2S2.Na/c5-8(6)4-2-1-3-7-4;/h1-3H,(H,5,6);/q;+1/p-1
• InChIKey: RRLLXOFIOPVYOP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium thiophene-2-sulfinate
• IUPAC Traditional name: sodium thiophene-2-sulfinate
• Synonyms: sodium thiophene-2-sulfinate

Database IDs

• MDL Number: MFCD11656003
• PubChem SID: 164293220
• PubChem CID: 23674657

CALCULATED PROPERTIES

• Acid pKa: -1.3998327
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4935776
• LogD (pH = 7.4): -1.4935904
• Log P: 0.88280827
• Molar Refractivity: 32.3481 cm^3
• Polarizability: 13.023535 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.613

Product Information

• Purity: 95%