1-(2-Thienylthio)-3-{[3-(trifluoromethyl)benzyl]thio}propan-2-ol

• Catalog: OFC648427296
• CAS: 648427-29-6
• Category: Fluorinated Thiophenes
• Synonyms: 1-thiophen-2-ylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-ol
• MDL Number: MFCD00115048

• IUPAC Name: 1-thiophen-2-ylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-ol
• InChI: InChI=1S/C15H15F3OS3/c16-15(17,18)12-4-1-3-11(7-12)8-20-9-13(19)10-22-14-5-2-6-21-14/h1-7,13,19H,8-10H2
• InChI Key: WYZVNMJMUVOHAK-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC(=C1)C(F)(F)F)CSCC(CSC2=CC=CS2)O

• Molecular Formula: C15H15F3OS3
• Molecular Weight: 364.47

• XLogP3-AA: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 364.02371310 g/mol
• Monoisotopic Mass: 364.02371310 g/mol
• Topological Polar Surface Area: 99.1Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 328