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

• ChemBase ID: 92508
• Molecular Formular: C7H7ClO4S2
• Molecular Mass: 254.71108
• Monoisotopic Mass: 253.94742838
• SMILES: O1C(c2c(scc2)S(=O)(=O)Cl)OCC1
• Canonical SMILES: ClS(=O)(=O)c1sccc1C1OCCO1
• InChI: InChI=1S/C7H7ClO4S2/c8-14(9,10)7-5(1-4-13-7)6-11-2-3-12-6/h1,4,6H,2-3H2
• InChIKey: RRTOURREASJQSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
• IUPAC Traditional name: 3-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
• Synonyms: 3-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride; 3-(1,3-Dioxolan-2-yl)thiophene-2-sulphonyl chloride 97%

Database IDs

• CAS Number: 103011-38-7
• MDL Number: MFCD08271969
• PubChem SID: 162079206
• PubChem CID: 10538915

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8491411
• LogD (pH = 7.4): 1.8491411
• Log P: 1.8491411
• Molar Refractivity: 51.8971 cm^3
• Polarizability: 21.493876 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93-94°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 97%