6-Benzothiazolecarboxylic acid, 2-amino-
TL;DR: 6-Benzothiazolecarboxylic acid, 2-amino- (CAS 93-85-6) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 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
Also Known As: 2-Aminobenzothiazole-6-carboxylic acid, 2-aminobenzo[d]thiazole-6-carboxylic acid, 2-amino-1,3-benzothiazole-6-carboxylic acid, null, 6-Benzothiazolecarboxylic acid, 2-amino-
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 93-85-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)SC(=N2)N |
| InChIKey | ZEAKWWWXCZMODH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Benzothiazolecarboxylic acid, 2-amino- (CAS 93-85-6), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: 2-amino-1,3-benzothiazole-6-carboxylic acid.
Chemical Property Profile of 6-Benzothiazolecarboxylic acid, 2-amino-
Property Insights of 6-Benzothiazolecarboxylic acid, 2-amino-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzothiazolecarboxylic acid, 2-amino-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzothiazolecarboxylic acid, 2-amino-. Following Lipinski's Rule of Five, 6-Benzothiazolecarboxylic acid, 2-amino- has 2 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-?
The CAS number of 6-Benzothiazolecarboxylic acid, 2-amino- is 93-85-6.
What is the molecular formula of 6-Benzothiazolecarboxylic acid, 2-amino-?
The molecular formula of 6-Benzothiazolecarboxylic acid, 2-amino- is C8H6N2O2S.
What is the molecular weight of 6-Benzothiazolecarboxylic acid, 2-amino-?
The molecular weight of 6-Benzothiazolecarboxylic acid, 2-amino- is 194.01 g/mol.
Where can I buy 6-Benzothiazolecarboxylic acid, 2-amino-?
You can request a quote for 6-Benzothiazolecarboxylic acid, 2-amino- 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-?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzothiazolecarboxylic acid, 2-amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.