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

C23H20FNS — CID 68861708

IUPAC3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(C)cc2)c2ccccc2F)cc1
InChIInChI=1S/C23H20FNS/c1-17-7-11-19(12-8-17)25-16-15-23(21-5-3-4-6-22(21)24)26-20-13-9-18(2)10-14-20/h3-16H,1-2H3/b23-15?,25-16+
InChIKeyBAQNFXWMVVYJFO-YGGKHLHESA-N
MW361.49 g/mol
LogP6.98
Rot. Bonds5

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

3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine (PubChem CID 68861708) has the molecular formula C23H20FNS and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine
PubChem CID68861708
Molecular FormulaC23H20FNS
Molecular Weight361.49 g/mol
Exact Mass361.13
IUPAC Name3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(C)cc2)c2ccccc2F)cc1
InChIInChI=1S/C23H20FNS/c1-17-7-11-19(12-8-17)25-16-15-23(21-5-3-4-6-22(21)24)26-20-13-9-18(2)10-14-20/h3-16H,1-2H3/b23-15?,25-16+
InChIKeyBAQNFXWMVVYJFO-YGGKHLHESA-N
XLogP6.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenamine, 3,4-dimethyl-N-(4-methylthiobenzylidene)-
CID 620470
N-(2,4-difluorophenyl)-4-methylthiobenzylideneamine
CID 129825129
1-(4-methylsulfanylphenyl)-N-phenylmethanimine
CID 2381369
N-(4-Fluorobenzylidene)-4-methylthioaniline
CID 11021163
4-Fluoro-n-(4-methylthiobenzylidene)aniline
CID 11053924
[2-fluoro-4-[(E)-2-[4-[(E)-2-(3-fluoro-4-isothiocyanatophenyl)ethenyl]phenyl]ethenyl]phenyl] thiocyanate
CID 20588892
(2-methylcyclohexyl) 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate
CID 58579762
1-cyclohexylethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate
CID 58579765
(3-methylcyclohexyl) 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate
CID 58579783
(4-methylcyclohexyl) 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate
CID 58579795
s-(4-{(e)-[(4-Fluorophenyl)imino]methyl}phenyl) ethanethioate
CID 58895833
(4-methylphenyl) 3-(4-fluorophenyl)sulfanyl-2-methyl-N-(4-methylphenyl)prop-2-enimidothioate
CID 59498103

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine?
The IUPAC name of 3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine (CID 68861708) is 3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine is Cc1ccc(/N=C/C=C(Sc2ccc(C)cc2)c2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine?
The InChIKey is BAQNFXWMVVYJFO-YGGKHLHESA-N. The full InChI is InChI=1S/C23H20FNS/c1-17-7-11-19(12-8-17)25-16-15-23(21-5-3-4-6-22(21)24)26-20-13-9-18(2)10-14-20/h3-16H,1-2H3/b23-15?,25-16+.
What are the key properties of 3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine?
3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine has a molecular weight of 361.49 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine is sourced from PubChem (CID 68861708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).