N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine

C16H17NS — CID 620470

IUPACN-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine
SMILESCSc1ccc(/C=N/c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H17NS/c1-12-4-7-15(10-13(12)2)17-11-14-5-8-16(18-3)9-6-14/h4-11H,1-3H3/b17-11+
InChIKeyPNLQUKWDWBDABW-GZTJUZNOSA-N
MW255.39 g/mol
LogP4.78
Rot. Bonds3

About N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine

N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine (PubChem CID 620470) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine
PubChem CID620470
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC NameN-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine
SMILESCSc1ccc(/C=N/c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H17NS/c1-12-4-7-15(10-13(12)2)17-11-14-5-8-16(18-3)9-6-14/h4-11H,1-3H3/b17-11+
InChIKeyPNLQUKWDWBDABW-GZTJUZNOSA-N
XLogP4.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine (CID 620470) is N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine is CSc1ccc(/C=N/c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine?
The InChIKey is PNLQUKWDWBDABW-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17NS/c1-12-4-7-15(10-13(12)2)17-11-14-5-8-16(18-3)9-6-14/h4-11H,1-3H3/b17-11+.
What are the key properties of N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine?
N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine has a molecular weight of 255.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(4-methylsulfanylphenyl)methanimine is sourced from PubChem (CID 620470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).