2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol

C16H17NOS — CID 164862973

IUPAC2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol
SMILESCSc1cccc(C)c1/N=C/c1cccc(C)c1O
InChIInChI=1S/C16H17NOS/c1-11-6-5-9-14(19-3)15(11)17-10-13-8-4-7-12(2)16(13)18/h4-10,18H,1-3H3/b17-10+
InChIKeySQAXQUPUXKXKES-LICLKQGHSA-N
MW271.39 g/mol
LogP4.48
Rot. Bonds3

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

2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol (PubChem CID 164862973) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol
PubChem CID164862973
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol
SMILESCSc1cccc(C)c1/N=C/c1cccc(C)c1O
InChIInChI=1S/C16H17NOS/c1-11-6-5-9-14(19-3)15(11)17-10-13-8-4-7-12(2)16(13)18/h4-10,18H,1-3H3/b17-10+
InChIKeySQAXQUPUXKXKES-LICLKQGHSA-N
XLogP4.48
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol 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

2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
CID 136690856
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol
CID 135967228
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol
CID 1224312
2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 135595546
2-methyl-6-[(E)-pyrimidin-2-yliminomethyl]phenol;trichlorotantalum
CID 135967215
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol
CID 136835974
dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 135997406

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol?
The IUPAC name of 2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol (CID 164862973) is 2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol is CSc1cccc(C)c1/N=C/c1cccc(C)c1O.
What is the InChIKey of 2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol?
The InChIKey is SQAXQUPUXKXKES-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11-6-5-9-14(19-3)15(11)17-10-13-8-4-7-12(2)16(13)18/h4-10,18H,1-3H3/b17-10+.
What are the key properties of 2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol?
2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol has a molecular weight of 271.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol is sourced from PubChem (CID 164862973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).