3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine

C23H19F2NS — CID 68860423

IUPAC3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(C)cc2)c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H19F2NS/c1-16-3-8-19(9-4-16)26-14-13-23(21-12-7-18(24)15-22(21)25)27-20-10-5-17(2)6-11-20/h3-15H,1-2H3/b23-13?,26-14+
InChIKeyFFNZCXAUHVTTEK-ZLMSVQGBSA-N
MW379.48 g/mol
LogP7.12
Rot. Bonds5

About 3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine

3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine (PubChem CID 68860423) has the molecular formula C23H19F2NS and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine
PubChem CID68860423
Molecular FormulaC23H19F2NS
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(C)cc2)c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H19F2NS/c1-16-3-8-19(9-4-16)26-14-13-23(21-12-7-18(24)15-22(21)25)27-20-10-5-17(2)6-11-20/h3-15H,1-2H3/b23-13?,26-14+
InChIKeyFFNZCXAUHVTTEK-ZLMSVQGBSA-N
XLogP7.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 57.12
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 3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine?
The IUPAC name of 3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine (CID 68860423) is 3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine is Cc1ccc(/N=C/C=C(Sc2ccc(C)cc2)c2ccc(F)cc2F)cc1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine?
The InChIKey is FFNZCXAUHVTTEK-ZLMSVQGBSA-N. The full InChI is InChI=1S/C23H19F2NS/c1-16-3-8-19(9-4-16)26-14-13-23(21-12-7-18(24)15-22(21)25)27-20-10-5-17(2)6-11-20/h3-15H,1-2H3/b23-13?,26-14+.
What are the key properties of 3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine?
3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine has a molecular weight of 379.48 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine is sourced from PubChem (CID 68860423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).