2,3-dihydro-1H-indene-2-sulfonyl chloride

• ChemBase ID: 275271
• Molecular Formular: C9H9ClO2S
• Molecular Mass: 216.68456
• Monoisotopic Mass: 216.00117821
• SMILES: S(=O)(=O)(C1Cc2c(C1)cccc2)Cl
• Canonical SMILES: ClS(=O)(=O)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C9H9ClO2S/c10-13(11,12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2
• InChIKey: BQRWSCLFTBDGAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indene-2-sulfonyl chloride
• IUPAC Traditional name: 2,3-dihydro-1H-indene-2-sulfonyl chloride
• Synonyms: 2,3-dihydro-1H-indene-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD16671690
• PubChem SID: 164331181
• PubChem CID: 23021631

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.222191
• LogD (pH = 7.4): 2.222191
• Log P: 2.222191
• Molar Refractivity: 52.6982 cm^3
• Polarizability: 21.213331 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.649

Product Information

• Purity: 95%