3-({[3,5-Bis(trifluoromethyl)phenyl]thio}methyl)-2,5-dichlorothiophene

• Catalog: OFC648408586
• CAS: 648408-58-6
• Category: Fluorinated Thiophenes
• Synonyms: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-2,5-dichlorothiophene
• MDL Number: MFCD01570043

• IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-2,5-dichlorothiophene
• InChI: InChI=1S/C13H6Cl2F6S2/c14-10-1-6(11(15)23-10)5-22-9-3-7(12(16,17)18)2-8(4-9)13(19,20)21/h1-4H,5H2
• InChI Key: GYWIHBDBNZRSRX-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C=C1C(F)(F)F)SCC2=C(SC(=C2)Cl)Cl)C(F)(F)F

• Molecular Formula: C13H6Cl2F6S2
• Molecular Weight: 411.21

• XLogP3-AA: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 409.9192169 g/mol
• Monoisotopic Mass: 409.9192169 g/mol
• Topological Polar Surface Area: 53.5Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 381