5-[1-Methyl-5-(trifluoromethyl)-1h-pyrazol-3-yl]thiophene-2-sulphonyl chloride

• Catalog: OFC166964314
• CAS: 166964-31-4
• Category: Fluorinated Thiophenes
• Synonyms: 2-(Chlorosulphonyl)-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene; 3-[5-(Chlorosulphonyl)thien-2-yl]-1-methyl-5-(trifluoromethyl)-1H-pyrazole
• Purity: 97%
• MDL Number: MFCD00052283

• IUPAC Name: 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride
• InChI: InChI=1S/C9H6ClF3N2O2S2/c1-15-7(9(11,12)13)4-5(14-15)6-2-3-8(18-6)19(10,16)17/h2-4H,1H3
• InChI Key: BWVNHXIGDZASCP-UHFFFAOYSA-N
• Isomeric SMILES: CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)Cl)C(F)(F)F
• EC Number: 671-942-3

• Molecular Formula: C9H6ClF3N2O2S2
• Molecular Weight: 330.73
• Melting Point: 77-80 °C

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 329.9511320 g/mol
• Monoisotopic Mass: 329.9511320 g/mol
• Topological Polar Surface Area: 88.6Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 440