1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine

C15H12F3NOS — CID 628257

IUPAC1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine
SMILESCSc1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NOS/c1-21-14-8-2-11(3-9-14)10-19-12-4-6-13(7-5-12)20-15(16,17)18/h2-10H,1H3/b19-10+
InChIKeyMIVDFDQDGWBWGK-VXLYETTFSA-N
MW311.33 g/mol
LogP5.06
Rot. Bonds4

About 1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine

1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine (PubChem CID 628257) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine
PubChem CID628257
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine
SMILESCSc1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NOS/c1-21-14-8-2-11(3-9-14)10-19-12-4-6-13(7-5-12)20-15(16,17)18/h2-10H,1H3/b19-10+
InChIKeyMIVDFDQDGWBWGK-VXLYETTFSA-N
XLogP5.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.33
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine (CID 628257) is 1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine is CSc1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
The InChIKey is MIVDFDQDGWBWGK-VXLYETTFSA-N. The full InChI is InChI=1S/C15H12F3NOS/c1-21-14-8-2-11(3-9-14)10-19-12-4-6-13(7-5-12)20-15(16,17)18/h2-10H,1H3/b19-10+.
What are the key properties of 1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine has a molecular weight of 311.33 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine is sourced from PubChem (CID 628257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).