5-Bromobenzothiazole
TL;DR: 5-Bromobenzothiazole (CAS 768-11-6) is a chemical compound with molecular formula C7H4BrNS and molecular weight 212.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,3-benzothiazole
Also Known As: 5-bromobenzothiazole, 5-bromo-1,3-benzothiazole, 5-bromo-benzothiazole, Benzothiazole, 5-bromo-, 5-BROMOBENZO[D]THIAZOLE
| Molecular Formula | C7H4BrNS |
|---|---|
| Molecular Weight | 212.92 g/mol |
| LogP | 3.0588 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.92477 |
| Heavy Atoms | 10 |
| Complexity | 355.1336 |
Chemical Identifiers
| CAS Number | 768-11-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)N=CS2 |
Product Overview
5-Bromobenzothiazole (CAS 768-11-6), with molecular formula C7H4BrNS and molecular weight 212.92 g/mol. IUPAC: 5-bromo-1,3-benzothiazole.
Chemical Property Profile of 5-Bromobenzothiazole
Property Insights of 5-Bromobenzothiazole
The XLogP value of 3.0588 indicates that 5-Bromobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 5-Bromobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromobenzothiazole 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
Frequently Asked Questions
What is the CAS number of 5-Bromobenzothiazole?
The CAS number of 5-Bromobenzothiazole is 768-11-6.
What is the molecular formula of 5-Bromobenzothiazole?
The molecular formula of 5-Bromobenzothiazole is C7H4BrNS.
What is the molecular weight of 5-Bromobenzothiazole?
The molecular weight of 5-Bromobenzothiazole is 212.92 g/mol.
Where can I buy 5-Bromobenzothiazole?
You can request a quote for 5-Bromobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.