2-Bromo-1,3-benzothiazole
TL;DR: 2-Bromo-1,3-benzothiazole (CAS 2516-40-7) 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.
2-bromo-1,3-benzothiazole
Also Known As: 2-Bromobenzothiazole, 2-Bromo-1,3-benzothiazole, 2-bromobenzo[d]thiazole, benzothiazole, 2-bromo-, 2-bromo-benzothiazole
| Molecular Formula | C7H4BrNS |
|---|---|
| Molecular Weight | 212.92 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.92477 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 2516-40-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)Br |
| InChIKey | DRLMMVPCYXFPEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1,3-benzothiazole (CAS 2516-40-7), with molecular formula C7H4BrNS and molecular weight 212.92 g/mol. IUPAC: 2-bromo-1,3-benzothiazole.
Chemical Property Profile of 2-Bromo-1,3-benzothiazole
Property Insights of 2-Bromo-1,3-benzothiazole
The XLogP value of 3.3 indicates that 2-Bromo-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2-Bromo-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1,3-benzothiazole 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 2-Bromo-1,3-benzothiazole?
The CAS number of 2-Bromo-1,3-benzothiazole is 2516-40-7.
What is the molecular formula of 2-Bromo-1,3-benzothiazole?
The molecular formula of 2-Bromo-1,3-benzothiazole is C7H4BrNS.
What is the molecular weight of 2-Bromo-1,3-benzothiazole?
The molecular weight of 2-Bromo-1,3-benzothiazole is 212.92 g/mol.
Where can I buy 2-Bromo-1,3-benzothiazole?
You can request a quote for 2-Bromo-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.