Description

1-Benzo(b)thien-2-ylethan-1-one (CAS No. 22720-75-8) is a high-purity organic compound with the molecular formula C₁₀H₈OS. Also known as 2-Acetylbenzothiophene, this heterocyclic ketone features a benzothiophene core acetylated at the 2-position, making it a valuable intermediate in synthetic organic chemistry and material science applications. Our product is rigorously tested to ensure superior quality, with consistent purity suitable for research, pharmaceutical development, and specialty chemical synthesis. Ideal for use in cross-coupling reactions, heterocyclic derivatization, and as a precursor for advanced molecular scaffolds. Available in scalable quantities with detailed analytical data (GC/MS, NMR, HPLC) for verification.

Properties

• CAS Number: 22720-75-8
• Complexity: 190
• IUPAC Name: 1-(benzothiophen-2-yl)ethanone
• InChI: InChI=1S/C10H8OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3
• InChI Key: SGSGCQGCVKWRNM-UHFFFAOYSA-N
• Exact Mass: 176.02958605
• Molecular Formula: C10H8OS
• Molecular Weight: 176.24
• SMILES: CC(=O)C1=CC2=CC=CC=C2S1
• Topological: 45.3
• Monoisotopic Mass: 176.02958605
• Synonyms: 2-Acetylbenzothiophene, 1-Benzo(b)thien-2-ylethan-1-one, 1-benzo[b]thien-2-ylethan-1-one, 2-ABT cpd, 22720-75-8, 2-Acetylbenzo[b]thiophene, 1-(benzo[b]thiophen-2-yl)ethanone, 1-Benzo[b]thiophen-2-yl-ethanone, 1-(1-benzothiophen-2-yl)ethanone, 1-(1-benzothiophen-2-yl)ethan-1-one, Ethanone, 1-benzo(b)thien-2-yl-, MFCD00090217, ZC5EPE32DF, 1-Benzo-[b]thien-2-ylethanone, DTXSID3057692, Ethanone, 1-benzo[b]thienyl-, 1-(benzo[b]thiophen-2-yl)ethan-1-one, 1-(benzo[b]thiophen-2-yl]ethan-1-one, 1-Benzo-[b]thien-2-ylethanone; Zileuton Related Compound C, EINECS 245-177-7, 2-acetylbenzothiophen, UNII-ZC5EPE32DF, 2-Acetyl benzo[b]thiophene, 2-Acetylbenzothiophene, 97%, SCHEMBL407602, CHEMBL541695, SCHEMBL4600212, SCHEMBL5418360, DTXCID4031481, SGSGCQGCVKWRNM-UHFFFAOYSA-, CS-D0712, Tox21_113819, SBB063050, 1-(benzo[b]thiophen-2-yl)-ethanone, AKOS000280479, FS-2177, NCGC00253698-01, AC-24592, SY001822, CAS-22720-75-8, DB-012661, A1497, NS00027246, ST50407223, EN300-157748, SR-01000944859, SR-01000944859-1, F1905-7187, Z337709350, InChI=1/C10H8OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3

Application

1-Benzo(b)thien-2-ylethan-1-one is widely utilized as a key building block in the synthesis of pharmacologically active compounds, particularly in the development of benzothiophene-based drug candidates. It serves as a precursor for functionalized heterocycles in materials science, including organic semiconductors and luminescent materials. Researchers also employ this compound in studying structure-activity relationships (SAR) due to its rigid aromatic framework and reactive ketone moiety.

Safety and Hazards

GHS Hazard Statements

• H302 (73.3%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (73.3%)

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