4-thiophen-2-ylbenzoyl chloride

C11H7ClOS — CID 2776331

IUPAC4-thiophen-2-ylbenzoyl chloride
SMILESO=C(Cl)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C11H7ClOS/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
InChIKeyWWIBCNCKODGBTI-UHFFFAOYSA-N
MW222.70 g/mol
LogP3.79
Rot. Bonds2

About 4-thiophen-2-ylbenzoyl chloride

4-thiophen-2-ylbenzoyl chloride (PubChem CID 2776331) has the molecular formula C11H7ClOS and a molecular weight of 222.70 g/mol. Its IUPAC name is 4-thiophen-2-ylbenzoyl chloride.

Molecular Properties

Compound Name4-thiophen-2-ylbenzoyl chloride
PubChem CID2776331
Molecular FormulaC11H7ClOS
Molecular Weight222.70 g/mol
Exact Mass221.99
IUPAC Name4-thiophen-2-ylbenzoyl chloride
SMILESO=C(Cl)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C11H7ClOS/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
InChIKeyWWIBCNCKODGBTI-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylbenzoyl chloride?
The IUPAC name of 4-thiophen-2-ylbenzoyl chloride (CID 2776331) is 4-thiophen-2-ylbenzoyl chloride.
What is the SMILES notation for 4-thiophen-2-ylbenzoyl chloride?
The canonical SMILES for 4-thiophen-2-ylbenzoyl chloride is O=C(Cl)c1ccc(-c2cccs2)cc1.
What is the InChIKey of 4-thiophen-2-ylbenzoyl chloride?
The InChIKey is WWIBCNCKODGBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClOS/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H.
What are the key properties of 4-thiophen-2-ylbenzoyl chloride?
4-thiophen-2-ylbenzoyl chloride has a molecular weight of 222.70 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylbenzoyl chloride is sourced from PubChem (CID 2776331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).