ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate

C15H16N2O2S — CID 90850809

IUPACethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate
SMILESCCOC(=O)c1ccc(/N=N/C(C)c2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-3-19-15(18)12-6-8-13(9-7-12)17-16-11(2)14-5-4-10-20-14/h4-11H,3H2,1-2H3/b17-16+
InChIKeyFYFZVZMQMNDLJE-WUKNDPDISA-N
MW288.37 g/mol
LogP4.77
Rot. Bonds5

About ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate

ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate (PubChem CID 90850809) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate
PubChem CID90850809
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Nameethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate
SMILESCCOC(=O)c1ccc(/N=N/C(C)c2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-3-19-15(18)12-6-8-13(9-7-12)17-16-11(2)14-5-4-10-20-14/h4-11H,3H2,1-2H3/b17-16+
InChIKeyFYFZVZMQMNDLJE-WUKNDPDISA-N
XLogP4.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(thiophen-2-yldiazenyl)benzoate
CID 102298943
ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate
CID 90711977
propyl 4-[(1-ethoxy-1,3-dioxobutan-2-yl)diazenyl]benzoate
CID 170922511
ethyl 4-[[1,2-diamino-2-(4-ethoxycarbonylphenyl)iminoethylidene]amino]benzoate
CID 6341789
ethyl 4-[[(S)-phenyl(thiophen-2-yl)methyl]sulfamoyl]benzoate
CID 8816031
ethyl 4-[(N-methyl-C-thiophen-2-ylcarbonimidoyl)amino]benzoate
CID 8003499
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate
CID 58003647
ethyl 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 139203232
ethyl 4-[(4-formamidophenyl)diazenyl]benzoate
CID 577472
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]benzoate
CID 87384501

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate?
The IUPAC name of ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate (CID 90850809) is ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate.
What is the SMILES notation for ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate?
The canonical SMILES for ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate is CCOC(=O)c1ccc(/N=N/C(C)c2cccs2)cc1.
What is the InChIKey of ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate?
The InChIKey is FYFZVZMQMNDLJE-WUKNDPDISA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-19-15(18)12-6-8-13(9-7-12)17-16-11(2)14-5-4-10-20-14/h4-11H,3H2,1-2H3/b17-16+.
What are the key properties of ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate?
ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate has a molecular weight of 288.37 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-thiophen-2-ylethyldiazenyl)benzoate is sourced from PubChem (CID 90850809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).