sodium 5-chlorothiophene-2-sulfinate

• ChemBase ID: 245670
• Molecular Formular: C4H2ClNaO2S2
• Molecular Mass: 204.63025
• Monoisotopic Mass: 203.90824327
• SMILES: c1(sc(cc1)Cl)S(=O)[O-].[Na+]
• Canonical SMILES: [O-]S(=O)c1ccc(s1)Cl.[Na+]
• InChI: InChI=1S/C4H3ClO2S2.Na/c5-3-1-2-4(8-3)9(6)7;/h1-2H,(H,6,7);/q;+1/p-1
• InChIKey: URPDPPVDDGHRPQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 5-chlorothiophene-2-sulfinate
• IUPAC Traditional name: sodium 5-chlorothiophene-2-sulfinate
• Synonyms: sodium 5-chlorothiophene-2-sulfinate

Database IDs

• PubChem SID: 164301580
• PubChem CID: 23682315

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: -1.4796152
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7235391
• LogD (pH = 7.4): -0.7235498
• Log P: 1.6528488
• Molar Refractivity: 36.3128 cm^3
• Polarizability: 15.041167 Å^3
• Polar Surface Area: 40.13 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.142

Product Information

• Purity: 95%