N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine

C17H21NSSi — CID 140768291

IUPACN-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccccc2S[Si](C)(C)C)cc1
InChIInChI=1S/C17H21NSSi/c1-14-9-11-16(12-10-14)18-13-15-7-5-6-8-17(15)19-20(2,3)4/h5-13H,1-4H3/b18-13+
InChIKeyOPAUQUYUSQLAHP-QGOAFFKASA-N
MW299.52 g/mol
LogP5.67
Rot. Bonds4

About N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine

N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine (PubChem CID 140768291) has the molecular formula C17H21NSSi and a molecular weight of 299.52 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine
PubChem CID140768291
Molecular FormulaC17H21NSSi
Molecular Weight299.52 g/mol
Exact Mass299.12
IUPAC NameN-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccccc2S[Si](C)(C)C)cc1
InChIInChI=1S/C17H21NSSi/c1-14-9-11-16(12-10-14)18-13-15-7-5-6-8-17(15)19-20(2,3)4/h5-13H,1-4H3/b18-13+
InChIKeyOPAUQUYUSQLAHP-QGOAFFKASA-N
XLogP5.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.52
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenyl)iminomethyl]phenolate
CID 140586343
2-[(4-methylphenyl)iminomethyl]naphthalen-1-ol
CID 135953527
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol
CID 2302434
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine
CID 20702065
copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
CID 139172748

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine?
The IUPAC name of N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine (CID 140768291) is N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine.
What is the SMILES notation for N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine?
The canonical SMILES for N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine is Cc1ccc(/N=C/c2ccccc2S[Si](C)(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine?
The InChIKey is OPAUQUYUSQLAHP-QGOAFFKASA-N. The full InChI is InChI=1S/C17H21NSSi/c1-14-9-11-16(12-10-14)18-13-15-7-5-6-8-17(15)19-20(2,3)4/h5-13H,1-4H3/b18-13+.
What are the key properties of N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine?
N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine has a molecular weight of 299.52 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(2-trimethylsilylsulfanylphenyl)methanimine is sourced from PubChem (CID 140768291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).