thieno[3,2-b]pyridine-6-sulfonyl chloride

• ChemBase ID: 275178
• Molecular Formular: C7H4ClNO2S2
• Molecular Mass: 233.69516
• Monoisotopic Mass: 232.93719805
• SMILES: S(=O)(=O)(c1cc2c(nc1)ccs2)Cl
• Canonical SMILES: ClS(=O)(=O)c1cnc2c(c1)scc2
• InChI: InChI=1S/C7H4ClNO2S2/c8-13(10,11)5-3-7-6(9-4-5)1-2-12-7/h1-4H
• InChIKey: DKLRUJYGCUCEAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-b]pyridine-6-sulfonyl chloride
• IUPAC Traditional name: thieno[3,2-b]pyridine-6-sulfonyl chloride
• Synonyms: thieno[3,2-b]pyridine-6-sulfonyl chloride

Database IDs

• MDL Number: MFCD18839103
• PubChem SID: 164331088
• PubChem CID: 54593556

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9637514
• LogD (pH = 7.4): 1.9637516
• Log P: 1.9637516
• Molar Refractivity: 51.0634 cm^3
• Polarizability: 21.695292 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 0.059

Product Information

• Purity: 95%