2-Acetyl-5-methylthiophene
Product Specifications
- CAS
- 13679-74-8
- MF
- C7H8OS
- Appearance
- yellow liquid
- Synonym(s)
- 1-(5-Methylthiophen-2-yl)ethan-1-one; 1-(5-methyl-2-thienyl)-ethanon; 1-(5-Methyl-2-thienyl)ethanone; 1-(5-Methyl-thiophen-2-yl)-ethanone; 5-Methyl-2-acetylthiophene; Ethanone, 1-(5-methyl-2-thienyl)-
- Shipping
- ambient temperature
- Storage
- 2-8°C
2-Acetyl-5-methylthiophene is identified by CAS 13679-74-8, molecular formula C7H8OS, and molecular weight 140.20. PubChem returns a single compound for this registry number, CID 83655. The atom connections are encoded as SMILES CC1=CC=C(S1)C(=O)C, with InChIKey YOSDTJYMDAEEAZ-UHFFFAOYSA-N identifying the same structure. The official representation contains one neutral molecular component.
The parent heterocycle is thiophene, a five-membered aromatic ring containing sulfur. An acetyl group is bonded at ring position 2, and a methyl group lies at position 5 on the other carbon adjacent to sulfur. The acetyl substituent contains the only oxygen as a carbonyl; it is distinct from a ring methyl because its methyl carbon is connected through the carbonyl carbon. Seven carbons, eight hydrogens, one oxygen, and one sulfur account for the formula. The 2,5 locants preserve which substituent occupies each side of the sulfur atom.
For an identity-based Rlavie inquiry, state the complete product name, CAS 13679-74-8, and requested quantity, and attach a MOL or SDF structure file. Rlavie can reconcile that file with PubChem CID 83655, SMILES CC1=CC=C(S1)C(=O)C, and InChIKey YOSDTJYMDAEEAZ-UHFFFAOYSA-N before reviewing request-specific details. Including both substituent names and locants avoids ambiguity with methylthiophenes bearing a carbonyl group in another arrangement. The formula verifies composition, but only the locanted name and graph distinguish the acetyl connection from alternative C7H8OS connectivities.