2-Bromo-5-methyl-1-benzothiophene
TL;DR: 2-Bromo-5-methyl-1-benzothiophene (CAS 111860-00-5) is a chemical compound with molecular formula C9H7BrS and molecular weight 225.94518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-5-methyl-1-benzothiophene
Also Known As: 2-bromo-5-methyl-1-benzothiophene, 2-bromo-5-methylbenzo[b]thiophene, Benzo[b]thiophene,2-bromo-5-methyl-, 4-Benzyl-3-thiosemicarbazide, 2-bromo-5-methyl-benzothiophene
Technical Specifications
| Molecular Formula | C9H7BrS |
| Molecular Weight | 225.94518 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.94518 Da |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
| SMILES | CC1=CC2=C(C=C1)SC(=C2)Br |
| InChIKey | HZPBPLLBZYSGBI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-5-methyl-1-benzothiophene
Property Insights of 2-Bromo-5-methyl-1-benzothiophene
The XLogP value of 4.3 indicates that 2-Bromo-5-methyl-1-benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2-Bromo-5-methyl-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-5-methyl-1-benzothiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Bromo-5-methyl-1-benzothiophene?
The CAS number of 2-Bromo-5-methyl-1-benzothiophene is 111860-00-5.
What is the molecular formula of 2-Bromo-5-methyl-1-benzothiophene?
The molecular formula of 2-Bromo-5-methyl-1-benzothiophene is C9H7BrS.
What is the molecular weight of 2-Bromo-5-methyl-1-benzothiophene?
The molecular weight of 2-Bromo-5-methyl-1-benzothiophene is 225.94518 g/mol.
Where can I buy 2-Bromo-5-methyl-1-benzothiophene?
You can request a quote for 2-Bromo-5-methyl-1-benzothiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-5-methyl-1-benzothiophene?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-5-methyl-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.