4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol

C23H22N2OS2 — CID 136797753

IUPAC4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol
SMILESCSc1ccccc1/N=C/c1cc(C)cc(/C=N/c2ccccc2SC)c1O
InChIInChI=1S/C23H22N2OS2/c1-16-12-17(14-24-19-8-4-6-10-21(19)27-2)23(26)18(13-16)15-25-20-9-5-7-11-22(20)28-3/h4-15,26H,1-3H3/b24-14+,25-15+
InChIKeyIZOUFMRXZXNEQR-KOJZRSEWSA-N
MW406.58 g/mol
LogP6.65
Rot. Bonds6

About 4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol

4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol (PubChem CID 136797753) has the molecular formula C23H22N2OS2 and a molecular weight of 406.58 g/mol. Its IUPAC name is 4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol
PubChem CID136797753
Molecular FormulaC23H22N2OS2
Molecular Weight406.58 g/mol
Exact Mass406.12
IUPAC Name4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol
SMILESCSc1ccccc1/N=C/c1cc(C)cc(/C=N/c2ccccc2SC)c1O
InChIInChI=1S/C23H22N2OS2/c1-16-12-17(14-24-19-8-4-6-10-21(19)27-2)23(26)18(13-16)15-25-20-9-5-7-11-22(20)28-3/h4-15,26H,1-3H3/b24-14+,25-15+
InChIKeyIZOUFMRXZXNEQR-KOJZRSEWSA-N
XLogP6.65
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.58
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride
CID 175288392
2-bromo-4-tert-butyl-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 137247228
4-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 136717193
2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 135595546
2-[(2-fluorophenyl)iminomethyl]-6-iodo-4-methylphenol
CID 135988559
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol
CID 757958
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
CID 137032211
2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
CID 136741770
2-[[2-[(2S)-butan-2-yl]phenyl]iminomethyl]-6-chloro-4-methylphenol
CID 959676
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
4-chloro-2,6-bis[(2-sulfanylphenyl)iminomethyl]phenol
CID 135603470

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol?
The IUPAC name of 4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol (CID 136797753) is 4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol is CSc1ccccc1/N=C/c1cc(C)cc(/C=N/c2ccccc2SC)c1O.
What is the InChIKey of 4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol?
The InChIKey is IZOUFMRXZXNEQR-KOJZRSEWSA-N. The full InChI is InChI=1S/C23H22N2OS2/c1-16-12-17(14-24-19-8-4-6-10-21(19)27-2)23(26)18(13-16)15-25-20-9-5-7-11-22(20)28-3/h4-15,26H,1-3H3/b24-14+,25-15+.
What are the key properties of 4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol?
4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol has a molecular weight of 406.58 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol is sourced from PubChem (CID 136797753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).