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

• Catalog: OFC230295111
• CAS: 230295-11-1
• Category: Fluorinated Thiophenes
• Synonyms: 2-(Chlorosulphonyl)-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene; 5-[5-(Chlorosulphonyl)thien-2-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole
• Purity: 95%
• MDL Number: MFCD00830811

• IUPAC Name: 5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride
• InChI: InChI=1S/C9H6ClF3N2O2S2/c1-15-5(4-7(14-15)9(11,12)13)6-2-3-8(18-6)19(10,16)17/h2-4H,1H3
• InChI Key: FTIBGHOWVJVQPO-UHFFFAOYSA-N
• Isomeric SMILES: CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(S2)S(=O)(=O)Cl
• EC Number: 673-097-6

• Molecular Formula: C9H6ClF3N2O2S2
• Molecular Weight: 330.73
• Melting Point: 65-67 °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