3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide
TL;DR: 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide (CAS 135900-99-1) is a chemical compound with molecular formula C11H9BrO2S and molecular weight 283.95065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-2-methyl-5-phenylthiophene 1,1-dioxide
Also Known As: 3-bromo-2-methyl-5-phenylthiophene 1,1-dioxide, AI-942/13331499
Technical Specifications
| Molecular Formula | C11H9BrO2S |
| Molecular Weight | 283.95065 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.95065 Da |
| Heavy Atoms | 15 |
| Complexity | 420.0 |
| SMILES | CC1=C(C=C(S1(=O)=O)C2=CC=CC=C2)Br |
| InChIKey | ZEGLLNFUBPOUJE-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide
Property Insights of 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide?
The CAS number of 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide is 135900-99-1.
What is the molecular formula of 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide?
The molecular formula of 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide is C11H9BrO2S.
What is the molecular weight of 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide?
The molecular weight of 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide is 283.95065 g/mol.
Where can I buy 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide?
You can request a quote for 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-2-methyl-5-phenylthiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.