(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine

C23H26F3NS — CID 102042715

IUPAC(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine
SMILESCCCCCC/C(=C/C(=N/c1ccccc1)C(F)(F)F)Sc1ccc(C)cc1
InChIInChI=1S/C23H26F3NS/c1-3-4-5-9-12-21(28-20-15-13-18(2)14-16-20)17-22(23(24,25)26)27-19-10-7-6-8-11-19/h6-8,10-11,13-17H,3-5,9,12H2,1-2H3/b21-17-,27-22-
InChIKeyYTZFEIGDDRGRIQ-VJFOIENDSA-N
MW405.53 g/mol
LogP8.28
Rot. Bonds9

About (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine

(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine (PubChem CID 102042715) has the molecular formula C23H26F3NS and a molecular weight of 405.53 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine
PubChem CID102042715
Molecular FormulaC23H26F3NS
Molecular Weight405.53 g/mol
Exact Mass405.17
IUPAC Name(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine
SMILESCCCCCC/C(=C/C(=N/c1ccccc1)C(F)(F)F)Sc1ccc(C)cc1
InChIInChI=1S/C23H26F3NS/c1-3-4-5-9-12-21(28-20-15-13-18(2)14-16-20)17-22(23(24,25)26)27-19-10-7-6-8-11-19/h6-8,10-11,13-17H,3-5,9,12H2,1-2H3/b21-17-,27-22-
InChIKeyYTZFEIGDDRGRIQ-VJFOIENDSA-N
XLogP8.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.53
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{[4-(Trifluoromethyl)phenyl]sulfanyl}aniline
CID 22175160
3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine
CID 24905609
2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 369428
N-(2,4-difluorophenyl)-4-methylthiobenzylideneamine
CID 129825129
N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
CID 166442420
1-(4-methylsulfanylphenyl)-N-phenylmethanimine
CID 2381369
4-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
CID 615342
3-(4'-trifluoromethylphenylimino)-3H-phenothiazine
CID 10150159
4-Fluoro-n-(4-methylthiobenzylidene)aniline
CID 11053924
1-Isothiocyanato-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 14076025
cyclohexylmethyl N-(3-fluorophenyl)-3-phenylsulfanylprop-2-enimidothioate
CID 58579759
(2-methylcyclohexyl) 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate
CID 58579762

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine (CID 102042715) is (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine is CCCCCC/C(=C/C(=N/c1ccccc1)C(F)(F)F)Sc1ccc(C)cc1.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine?
The InChIKey is YTZFEIGDDRGRIQ-VJFOIENDSA-N. The full InChI is InChI=1S/C23H26F3NS/c1-3-4-5-9-12-21(28-20-15-13-18(2)14-16-20)17-22(23(24,25)26)27-19-10-7-6-8-11-19/h6-8,10-11,13-17H,3-5,9,12H2,1-2H3/b21-17-,27-22-.
What are the key properties of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine?
(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyldec-3-en-2-imine has a molecular weight of 405.53 g/mol, XLogP of 8.28, 9 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-phenyldec-3-en-2-imine is sourced from PubChem (CID 102042715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).