(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine

C24H17F6NS — CID 102042714

About (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine

(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine (PubChem CID 102042714) has the molecular formula C24H17F6NS and a molecular weight of 465.46 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine.

Molecular Properties

• Compound Name: (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine
• PubChem CID: 102042714
• Molecular Formula: C24H17F6NS
• Molecular Weight: 465.46 g/mol
• Exact Mass: 465.10
• IUPAC Name: (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine
• SMILES: Cc1ccc(S/C(=C\C(=N\c2ccccc2)C(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1
• InChI: InChI=1S/C24H17F6NS/c1-16-7-13-20(14-8-16)32-21(17-9-11-18(12-10-17)23(25,26)27)15-22(24(28,29)30)31-19-5-3-2-4-6-19/h2-15H,1H3/b21-15-,31-22-
• InChIKey: OIMHBNLJNMXRLD-UEWWMKQSSA-N
• XLogP: 8.48
• TPSA: 12.36 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.46
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine?

The IUPAC name of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine (CID 102042714) is (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine.

What is the SMILES notation for (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine?

The canonical SMILES for (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine is Cc1ccc(S/C(=C\C(=N\c2ccccc2)C(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1.

What is the InChIKey of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine?

The InChIKey is OIMHBNLJNMXRLD-UEWWMKQSSA-N. The full InChI is InChI=1S/C24H17F6NS/c1-16-7-13-20(14-8-16)32-21(17-9-11-18(12-10-17)23(25,26)27)15-22(24(28,29)30)31-19-5-3-2-4-6-19/h2-15H,1H3/b21-15-,31-22-.

What are the key properties of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine?

(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine has a molecular weight of 465.46 g/mol, XLogP of 8.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-en-2-imine is sourced from PubChem (CID 102042714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).