(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride

C13H11ClN2OS — CID 10956844

IUPAC(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride
SMILESCc1ccc(N/N=C(/Cl)C(=O)c2cccs2)cc1
InChIInChI=1S/C13H11ClN2OS/c1-9-4-6-10(7-5-9)15-16-13(14)12(17)11-3-2-8-18-11/h2-8,15H,1H3/b16-13+
InChIKeyOEUZDRPLRWKLLN-DTQAZKPQSA-N
MW278.76 g/mol
LogP3.90
Rot. Bonds4

About (1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride

(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride (PubChem CID 10956844) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is (1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride.

Molecular Properties

Compound Name(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride
PubChem CID10956844
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride
SMILESCc1ccc(N/N=C(/Cl)C(=O)c2cccs2)cc1
InChIInChI=1S/C13H11ClN2OS/c1-9-4-6-10(7-5-9)15-16-13(14)12(17)11-3-2-8-18-11/h2-8,15H,1H3/b16-13+
InChIKeyOEUZDRPLRWKLLN-DTQAZKPQSA-N
XLogP3.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride?
The IUPAC name of (1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride (CID 10956844) is (1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride.
What is the SMILES notation for (1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride?
The canonical SMILES for (1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride is Cc1ccc(N/N=C(/Cl)C(=O)c2cccs2)cc1.
What is the InChIKey of (1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride?
The InChIKey is OEUZDRPLRWKLLN-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c1-9-4-6-10(7-5-9)15-16-13(14)12(17)11-3-2-8-18-11/h2-8,15H,1H3/b16-13+.
What are the key properties of (1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride?
(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride has a molecular weight of 278.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride is sourced from PubChem (CID 10956844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).