Description

3-Methylbenzo[b]thiophene (CAS No. 1455-18-1) is a high-purity heterocyclic organic compound with the molecular formula C₉H₈S. This aromatic thiophene derivative features a methyl group at the 3-position of the benzothiophene ring system, offering unique electronic and steric properties for advanced synthetic applications. Our product is rigorously tested to ensure ≥98% purity by GC analysis, making it ideal for pharmaceutical intermediates, material science research, and organic synthesis. Supplied as a clear to pale yellow liquid with a characteristic aromatic odor, it is packaged under inert gas to ensure stability and longevity. Suitable for use in Grignard reactions, cross-coupling methodologies, and as a building block for luminescent materials.

Properties

• CAS Number: 1455-18-1
• Complexity: 122
• IUPAC Name: 3-methylbenzothiophene
• InChI: InChI=1S/C9H8S/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3
• InChI Key: SEBRPHZZSLCDRQ-UHFFFAOYSA-N
• Exact Mass: 148.03467143
• Molecular Formula: C9H8S
• Molecular Weight: 148.23
• SMILES: CC1=CSC2=CC=CC=C12
• Topological: 28.2
• Monoisotopic Mass: 148.03467143
• Physical Description: Colorless liquid with a stench;
• Synonyms: 3-Methylbenzo[b]thiophene, 3-Methylbenzothiophene, 3-Methylthianaphthene, 3-Methylbenzo(b)thiophene, 3-Methylbenzylthiophene, 7A0P7EI9XF, EINECS 215-934-6, UNII-7A0P7EI9XF, NSC 267241, NSC-267241, DTXSID8074526, 3-Methylbenzo[b)thiophene, 3Methylthioindene, 3Methyl1thiaindene, 3Methylthianaphthene, 3Methylbenzothiophene, Benzothiophene, 3methyl, Benzo(b)thiophene, 3methyl, DTXCID4034732, Benzo(b)thiophene, 3-methyl-(8CI), Benzo(b)thiophene, 3-methyl-(8CI)(9CI), sebrphzzslcdrq-uhfffaoysa-n, 1455-18-1, Benzo[b]thiophene, 3-methyl-, 3-Methyl-1-benzothiophene, 3-Methyl-1-thiaindene, 3-Methylthioindene, Benzothiophene, 3-methyl-, MFCD00040243, Benzo(b)thiophene, 3-methyl-, 3-methyl-benzo[b]thiophene, NSC267241, 3-methyl-benzothiophene, 3- methylbenzo[b]thiophene, SCHEMBL12301, SCHEMBL66184, 3-Methyl-1-benzothiophene #, 3-Methylbenzothiophene, 96%, SCHEMBL188594, SCHEMBL1568025, SCHEMBL3483532, SCHEMBL3483613, SCHEMBL8028211, SCHEMBL13736283, BBL103439, SBB086600, STL557249, AKOS005199224, CS-W010979, AC-16554, AS-50136, BP-12802, SY048677, DB-042789, M1952, NS00024743, ST50307782, EN300-49257, O11035

Application

3-Methylbenzo[b]thiophene serves as a versatile scaffold in medicinal chemistry for developing kinase inhibitors and serotonin receptor modulators. Its electron-rich structure makes it valuable in OLED and semiconductor material synthesis. Researchers utilize it as a precursor for functionalized benzothiophenes in agrochemical and material science applications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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