3-methoxythiophene-2-sulfonyl chloride

• ChemBase ID: 238087
• Molecular Formular: C5H5ClO3S2
• Molecular Mass: 212.6744
• Monoisotopic Mass: 211.9368637
• SMILES: c1(S(=O)(=O)Cl)c(ccs1)OC
• Canonical SMILES: COc1ccsc1S(=O)(=O)Cl
• InChI: InChI=1S/C5H5ClO3S2/c1-9-4-2-3-10-5(4)11(6,7)8/h2-3H,1H3
• InChIKey: HLKHDXRCRNEXSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxythiophene-2-sulfonyl chloride
• IUPAC Traditional name: 3-methoxythiophene-2-sulfonyl chloride
• Synonyms: 3-methoxythiophene-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD19200070
• PubChem SID: 164293997
• PubChem CID: 11298822

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7083155
• LogD (pH = 7.4): 1.7083155
• Log P: 1.7083155
• Molar Refractivity: 42.9811 cm^3
• Polarizability: 17.790886 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.14

Product Information

• Purity: 95%