8-methyl-2H-chromene-3-sulfonyl chloride

• ChemBase ID: 281896
• Molecular Formular: C10H9ClO3S
• Molecular Mass: 244.69466
• Monoisotopic Mass: 243.99609283
• SMILES: S(=O)(=O)(C1=Cc2c(OC1)c(ccc2)C)Cl
• Canonical SMILES: Cc1cccc2c1OCC(=C2)S(=O)(=O)Cl
• InChI: InChI=1S/C10H9ClO3S/c1-7-3-2-4-8-5-9(15(11,12)13)6-14-10(7)8/h2-5H,6H2,1H3
• InChIKey: PYIDLGJPLFVUBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2H-chromene-3-sulfonyl chloride
• IUPAC Traditional name: 8-methyl-2H-chromene-3-sulfonyl chloride
• Synonyms: 8-methyl-2H-chromene-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD16040184
• PubChem SID: 180667427
• PubChem CID: 47003549

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2691603
• LogD (pH = 7.4): 2.2691603
• Log P: 2.2691603
• Molar Refractivity: 60.5412 cm^3
• Polarizability: 23.50966 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.404

Product Information

• Purity: 95%