5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride

• ChemBase ID: 92506
• Molecular Formular: C7H7ClO4S2
• Molecular Mass: 254.71108
• Monoisotopic Mass: 253.94742838
• SMILES: O1C(c2ccc(s2)S(=O)(=O)Cl)OCC1
• Canonical SMILES: ClS(=O)(=O)c1ccc(s1)C1OCCO1
• InChI: InChI=1S/C7H7ClO4S2/c8-14(9,10)6-2-1-5(13-6)7-11-3-4-12-7/h1-2,7H,3-4H2
• InChIKey: FXLSSUOFGGIMFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
• IUPAC Traditional name: 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
• Synonyms: 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride; 2-[5-(Chlorosulphonyl)thien-2-yl]-1,3-dioxolane; 2-(Chlorosulphonyl)-5-(1,3-dioxolan-2-yl)thiophene; 5-(1,3-Dioxolan-2-yl)thiophene-2-sulphonyl chloride, tech

Database IDs

• CAS Number: 871825-61-5
• MDL Number: MFCD08271968
• PubChem SID: 162079204
• PubChem CID: 18525939

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9815805
• LogD (pH = 7.4): 1.9815805
• Log P: 1.9815805
• Molar Refractivity: 51.6812 cm^3
• Polarizability: 21.498905 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Store under Argon

Product Information

• Purity: Tech