[2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate

C15H15NO2S — CID 159907266

IUPAC[2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate
SMILESCC(=O)OC(/C=N/c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C15H15NO2S/c1-11-5-7-13(8-6-11)16-10-14(18-12(2)17)15-4-3-9-19-15/h3-10,14H,1-2H3/b16-10+
InChIKeyNWSTUUPDRZJEPT-MHWRWJLKSA-N
MW273.36 g/mol
LogP4.06
Rot. Bonds4

About [2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate

[2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate (PubChem CID 159907266) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is [2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate
PubChem CID159907266
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name[2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate
SMILESCC(=O)OC(/C=N/c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C15H15NO2S/c1-11-5-7-13(8-6-11)16-10-14(18-12(2)17)15-4-3-9-19-15/h3-10,14H,1-2H3/b16-10+
InChIKeyNWSTUUPDRZJEPT-MHWRWJLKSA-N
XLogP4.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate?
The IUPAC name of [2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate (CID 159907266) is [2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate.
What is the SMILES notation for [2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate?
The canonical SMILES for [2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate is CC(=O)OC(/C=N/c1ccc(C)cc1)c1cccs1.
What is the InChIKey of [2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate?
The InChIKey is NWSTUUPDRZJEPT-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-11-5-7-13(8-6-11)16-10-14(18-12(2)17)15-4-3-9-19-15/h3-10,14H,1-2H3/b16-10+.
What are the key properties of [2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate?
[2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate has a molecular weight of 273.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)imino-1-thiophen-2-ylethyl] acetate is sourced from PubChem (CID 159907266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).