![4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one structure](/static/products/119/119872-66-1.webp)
4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one
TL;DR: 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one (CAS 119872-66-1) is a chemical compound with molecular formula C12H8O2S and molecular weight 216.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-[1]benzothiolo[3,2-b]pyran-2-one
Also Known As: 4-methyl-[1]benzothiolo[3,2-b]pyran-2-one, 4-methylbenzo[b]thiopheno[2,3-e]pyran-2-one, 4-methyl-benzo[4,5]thieno[3,2-b]pyran-2-one
Technical Specifications
| Molecular Formula | C12H8O2S |
| Molecular Weight | 216.0245 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.0245 Da |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
| SMILES | CC1=CC(=O)OC2=C1SC3=CC=CC=C32 |
| InChIKey | WKVQMXFIMAUFCH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one
Property Insights of 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one. With a topological polar surface area (TPSA) of 54.5 Ų, 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one?
The CAS number of 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one is 119872-66-1.
What is the molecular formula of 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one?
The molecular formula of 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one is C12H8O2S.
What is the molecular weight of 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one?
The molecular weight of 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one is 216.0245 g/mol.
Where can I buy 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one?
You can request a quote for 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one?
Yes, CoreyChem provides custom synthesis services for 4-Methylbenzo[b]thiopheno[2,3-e]pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.