2-(naphthalen-2-yl)ethane-1-sulfonyl chloride

• ChemBase ID: 802262
• Molecular Formular: C12H11ClO2S
• Molecular Mass: 254.73254
• Monoisotopic Mass: 254.01682827
• SMILES: C(Cc1ccc2c(cccc2)c1)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)CCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H11ClO2S/c13-16(14,15)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7-8H2
• InChIKey: DRTHVCAGNJANHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)ethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-(naphthalen-2-yl)ethanesulfonyl chloride
• Synonyms: 2-(2-NAPHTHYL)ETHANESULFONYL CHLORIDE

Database IDs

• CAS Number: 104295-83-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9598231
• LogD (pH = 7.4): 2.9598231
• Log P: 2.9598231
• Molar Refractivity: 66.0448 cm^3
• Polarizability: 27.559978 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%