5-(pyridin-2-yl)thiophene-2-sulfonyl chloride

• ChemBase ID: 10367
• Molecular Formular: C9H6ClNO2S2
• Molecular Mass: 259.73244
• Monoisotopic Mass: 258.95284812
• SMILES: c1(ccc(s1)S(=O)(=O)Cl)c1ccccn1
• Canonical SMILES: ClS(=O)(=O)c1ccc(s1)c1ccccn1
• InChI: InChI=1S/C9H6ClNO2S2/c10-15(12,13)9-5-4-8(14-9)7-3-1-2-6-11-7/h1-6H
• InChIKey: OGOMWPWAEIDEOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyridin-2-yl)thiophene-2-sulfonyl chloride
• IUPAC Traditional name: 5-(pyridin-2-yl)thiophene-2-sulfonyl chloride
• Synonyms: 5-(2-pyridyl)thiophene-2-sulfonyl chloride; 2-(Chlorosulphonyl)-5-(pyridin-2-yl)thiophene; 2-[5-(Chlorosulphonyl)thien-2-yl]pyridine; 5-(Pyridin-2-yl)thiophene-2-sulphonyl chloride, tech; 5-(Pyridin-2-yl)thiophene-2-sulfonyl chloride

Database IDs

• CAS Number: 151858-64-9
• MDL Number: MFCD00052284
• PubChem SID: 160973674
• PubChem CID: 2737231

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.676627
• LogD (pH = 7.4): 2.6780777
• Log P: 2.678096
• Molar Refractivity: 58.9093 cm^3
• Polarizability: 25.134981 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-89°C; 87-90°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Keep Cold/Store under Argon; MOISTURE SENSITIVE, CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 95%; tech