6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1)
TL;DR: 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1) (CAS 67828-34-6) is a chemical compound with molecular formula C8H7BrN2O2S and molecular weight 273.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1,3-benzothiazole-6-carboxylic acid;hydrobromide
Also Known As: 6-Benzothiazolecarboxylic acid, 2-amino-, monohydrobromide, 2-Amino-6-benzothiazolecarboxyic acid, hydrobromide, 2-Aminobenzothiazole-6-carboxylic acid monohydrobromide, 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1), 2-aminobenzo[d]thiazole-6-carboxylic acid monohydrobromide
| Molecular Formula | C8H7BrN2O2S |
|---|---|
| Molecular Weight | 273.94 g/mol |
| LogP | 2.15 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.94116 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 67828-34-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)SC(=N2)N.Br |
| InChIKey | YTYCXYXLESVMGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1) (CAS 67828-34-6), with molecular formula C8H7BrN2O2S and molecular weight 273.94 g/mol. IUPAC: 2-amino-1,3-benzothiazole-6-carboxylic acid;hydrobromide.
Chemical Property Profile of 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1)
Property Insights of 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1)
The XLogP value of 2.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1). The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1). Following Lipinski's Rule of Five, 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1) has 3 hydrogen bond donor(s) and 5 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 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1)?
The CAS number of 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1) is 67828-34-6.
What is the molecular formula of 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1)?
The molecular formula of 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1) is C8H7BrN2O2S.
What is the molecular weight of 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1)?
The molecular weight of 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1) is 273.94 g/mol.
Where can I buy 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1)?
You can request a quote for 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzothiazolecarboxylic acid, 2-amino-, hydrobromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.