2-Bromobenzo(b)thiophene
TL;DR: 2-Bromobenzo(b)thiophene (CAS 5394-13-8) is a chemical compound with molecular formula C8H5BrS and molecular weight 211.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-benzothiophene
Also Known As: 2-BROMOBENZO[B]THIOPHENE, 2-Bromo-1-benzothiophene, bromobenzothiophene, 2-BROMOBENZOTHIOPHENE, 2-bromobenzthiophene
| Molecular Formula | C8H5BrS |
|---|---|
| Molecular Weight | 211.93 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.92953 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 5394-13-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2)Br |
| InChIKey | WIFMYMXKTAVDSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromobenzo(b)thiophene (CAS 5394-13-8), with molecular formula C8H5BrS and molecular weight 211.93 g/mol. IUPAC: 2-bromo-1-benzothiophene.
Chemical Property Profile of 2-Bromobenzo(b)thiophene
Property Insights of 2-Bromobenzo(b)thiophene
The XLogP value of 4.0 indicates that 2-Bromobenzo(b)thiophene 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-Bromobenzo(b)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromobenzo(b)thiophene 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 2-Bromobenzo(b)thiophene?
The CAS number of 2-Bromobenzo(b)thiophene is 5394-13-8.
What is the molecular formula of 2-Bromobenzo(b)thiophene?
The molecular formula of 2-Bromobenzo(b)thiophene is C8H5BrS.
What is the molecular weight of 2-Bromobenzo(b)thiophene?
The molecular weight of 2-Bromobenzo(b)thiophene is 211.93 g/mol.
Where can I buy 2-Bromobenzo(b)thiophene?
You can request a quote for 2-Bromobenzo(b)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromobenzo(b)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromobenzo(b)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.