3-Bromobenzothiophene sulfoxide
TL;DR: 3-Bromobenzothiophene sulfoxide (CAS 57147-26-9) is a chemical compound with molecular formula C8H5BrOS and molecular weight 227.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1-benzothiophene 1-oxide
Also Known As: 3-Bromobenzothiophene sulfoxide, 3-bromobenzothiophene S-oxide, 3-Bromobenzo[b]thiophene 1-oxide, 3-bromo-1-benzothiophene 1-oxide, 3-Bromo-benzo(b)thiophene-1-oxide
| Molecular Formula | C8H5BrOS |
|---|---|
| Molecular Weight | 227.92 g/mol |
| LogP | 2.5011 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.92445 |
| Heavy Atoms | 11 |
| Complexity | 356.86462 |
Chemical Identifiers
| CAS Number | 57147-26-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2=O)Br |
Product Overview
3-Bromobenzothiophene sulfoxide (CAS 57147-26-9), with molecular formula C8H5BrOS and molecular weight 227.92 g/mol. IUPAC: 3-bromo-1-benzothiophene 1-oxide.
Chemical Property Profile of 3-Bromobenzothiophene sulfoxide
Property Insights of 3-Bromobenzothiophene sulfoxide
The XLogP value of 2.5011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromobenzothiophene sulfoxide. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Bromobenzothiophene sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromobenzothiophene sulfoxide 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
Frequently Asked Questions
What is the CAS number of 3-Bromobenzothiophene sulfoxide?
The CAS number of 3-Bromobenzothiophene sulfoxide is 57147-26-9.
What is the molecular formula of 3-Bromobenzothiophene sulfoxide?
The molecular formula of 3-Bromobenzothiophene sulfoxide is C8H5BrOS.
What is the molecular weight of 3-Bromobenzothiophene sulfoxide?
The molecular weight of 3-Bromobenzothiophene sulfoxide is 227.92 g/mol.
Where can I buy 3-Bromobenzothiophene sulfoxide?
You can request a quote for 3-Bromobenzothiophene sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromobenzothiophene sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromobenzothiophene sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.