2-methylnaphthalene-1-sulfonyl chloride

• ChemBase ID: 276003
• Molecular Formular: C11H9ClO2S
• Molecular Mass: 240.70596
• Monoisotopic Mass: 240.00117821
• SMILES: S(=O)(=O)(c1c2c(ccc1C)cccc2)Cl
• Canonical SMILES: Cc1ccc2c(c1S(=O)(=O)Cl)cccc2
• InChI: InChI=1S/C11H9ClO2S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3
• InChIKey: KRTQHSSAPOINBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylnaphthalene-1-sulfonyl chloride
• IUPAC Traditional name: 2-methylnaphthalene-1-sulfonyl chloride
• Synonyms: 2-methylnaphthalene-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD19200431
• PubChem SID: 164331913
• PubChem CID: 18388568

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.422447
• LogD (pH = 7.4): 3.422447
• Log P: 3.422447
• Molar Refractivity: 61.7436 cm^3
• Polarizability: 25.609629 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 1.843

Product Information

• Purity: 95%