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

C23H26F3NS — CID 102042710

IUPAC(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine
SMILESCCC/C(Sc1ccc(C)cc1)=C(CCC)/C(=N/c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H26F3NS/c1-4-9-20(21(10-5-2)28-19-15-13-17(3)14-16-19)22(23(24,25)26)27-18-11-7-6-8-12-18/h6-8,11-16H,4-5,9-10H2,1-3H3/b21-20-,27-22-
InChIKeyYOCVBOFQRWVXIE-RZHHJSDRSA-N
MW405.53 g/mol
LogP8.28
Rot. Bonds8

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

(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine (PubChem CID 102042710) 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-phenyl-3-propylhept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine
PubChem CID102042710
Molecular FormulaC23H26F3NS
Molecular Weight405.53 g/mol
Exact Mass405.17
IUPAC Name(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine
SMILESCCC/C(Sc1ccc(C)cc1)=C(CCC)/C(=N/c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H26F3NS/c1-4-9-20(21(10-5-2)28-19-15-13-17(3)14-16-19)22(23(24,25)26)27-18-11-7-6-8-12-18/h6-8,11-16H,4-5,9-10H2,1-3H3/b21-20-,27-22-
InChIKeyYOCVBOFQRWVXIE-RZHHJSDRSA-N
XLogP8.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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N-(2,4-difluorophenyl)-4-methylthiobenzylideneamine
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N'-[2-propylsulfanyl-5-(trifluoromethyl)phenyl]benzenecarboximidamide
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2,3-Dipropyl-4-(trifluoromethyl)-1,5-benzothiazepine
CID 162414843
7,9-Dimethyl-2,3-dipropyl-4-(trifluoromethyl)-1,5-benzothiazepine
CID 162414844
N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
CID 166442420
2-[dimethyl(oxo)-lambda6-sulfanylidene]-4,4,4-trifluoro-N,1-diphenylbutan-1-imine
CID 178252166
1-(4-methylsulfanylphenyl)-N-phenylmethanimine
CID 2381369
4-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
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3-(4'-trifluoromethylphenylimino)-3H-phenothiazine
CID 10150159

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine (CID 102042710) is (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine is CCC/C(Sc1ccc(C)cc1)=C(CCC)/C(=N/c1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine?
The InChIKey is YOCVBOFQRWVXIE-RZHHJSDRSA-N. The full InChI is InChI=1S/C23H26F3NS/c1-4-9-20(21(10-5-2)28-19-15-13-17(3)14-16-19)22(23(24,25)26)27-18-11-7-6-8-12-18/h6-8,11-16H,4-5,9-10H2,1-3H3/b21-20-,27-22-.
What are the key properties of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine?
(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N-phenyl-3-propylhept-3-en-2-imine has a molecular weight of 405.53 g/mol, XLogP of 8.28, 8 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-phenyl-3-propylhept-3-en-2-imine is sourced from PubChem (CID 102042710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).