4-(1,3-dioxolan-2-yl)furan-2-sulfonyl chloride

• ChemBase ID: 238341
• Molecular Formular: C7H7ClO5S
• Molecular Mass: 238.64548
• Monoisotopic Mass: 237.970272
• SMILES: S(=O)(=O)(c1cc(co1)C1OCCO1)Cl
• Canonical SMILES: ClS(=O)(=O)c1occ(c1)C1OCCO1
• InChI: InChI=1S/C7H7ClO5S/c8-14(9,10)6-3-5(4-13-6)7-11-1-2-12-7/h3-4,7H,1-2H2
• InChIKey: ZCHYQDNMIRNNOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,3-dioxolan-2-yl)furan-2-sulfonyl chloride
• IUPAC Traditional name: 4-(1,3-dioxolan-2-yl)furan-2-sulfonyl chloride
• Synonyms: 4-(1,3-dioxolan-2-yl)furan-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD22375375
• PubChem SID: 164294251
• PubChem CID: 71756152

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1322397
• LogD (pH = 7.4): 1.1322397
• Log P: 1.1322397
• Molar Refractivity: 47.3981 cm^3
• Polarizability: 19.722935 Å^3
• Polar Surface Area: 65.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.336

Product Information

• Purity: 95%