N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine

C20H14F3NS — CID 139241326

IUPACN-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1/C=N/c1ccccc1Sc1ccccc1
InChIInChI=1S/C20H14F3NS/c21-20(22,23)17-11-5-4-8-15(17)14-24-18-12-6-7-13-19(18)25-16-9-2-1-3-10-16/h1-14H/b24-14+
InChIKeyFLTVDKVPZGQEQO-ZVHZXABRSA-N
MW357.40 g/mol
LogP6.61
Rot. Bonds4

About N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine

N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 139241326) has the molecular formula C20H14F3NS and a molecular weight of 357.40 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID139241326
Molecular FormulaC20H14F3NS
Molecular Weight357.40 g/mol
Exact Mass357.08
IUPAC NameN-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1/C=N/c1ccccc1Sc1ccccc1
InChIInChI=1S/C20H14F3NS/c21-20(22,23)17-11-5-4-8-15(17)14-24-18-12-6-7-13-19(18)25-16-9-2-1-3-10-16/h1-14H/b24-14+
InChIKeyFLTVDKVPZGQEQO-ZVHZXABRSA-N
XLogP6.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.40
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine (CID 139241326) is N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccccc1/C=N/c1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is FLTVDKVPZGQEQO-ZVHZXABRSA-N. The full InChI is InChI=1S/C20H14F3NS/c21-20(22,23)17-11-5-4-8-15(17)14-24-18-12-6-7-13-19(18)25-16-9-2-1-3-10-16/h1-14H/b24-14+.
What are the key properties of N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine?
N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 357.40 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 139241326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).