Dichloro-1,2-thiazole-4-carboxylic acid
TL;DR: Dichloro-1,2-thiazole-4-carboxylic acid (CAS 3889-59-6) is a chemical compound with molecular formula C4HCl2NO2S and molecular weight 196.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-1,2-thiazole-4-carboxylic acid
Also Known As: 3,5-Dichloroisothiazole-4-carboxylic acid, C4HCl2NO2S, 4-Isothiazolecarboxylic acid, 3,5-dichloro, 3,5-dichloro-1,2-thiazole-4-carboxylic acid, DICHLORO-1,2-THIAZOLE-4-CARBOXYLIC ACID
| Molecular Formula | C4HCl2NO2S |
|---|---|
| Molecular Weight | 196.91 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.9105 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 3889-59-6 |
|---|---|
| SMILES | C1(=C(SN=C1Cl)Cl)C(=O)O |
| InChIKey | WKAITTMZJQQYEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dichloro-1,2-thiazole-4-carboxylic acid (CAS 3889-59-6), with molecular formula C4HCl2NO2S and molecular weight 196.91 g/mol. IUPAC: 3,5-dichloro-1,2-thiazole-4-carboxylic acid.
Chemical Property Profile of Dichloro-1,2-thiazole-4-carboxylic acid
Property Insights of Dichloro-1,2-thiazole-4-carboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloro-1,2-thiazole-4-carboxylic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dichloro-1,2-thiazole-4-carboxylic acid. Following Lipinski's Rule of Five, Dichloro-1,2-thiazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 Dichloro-1,2-thiazole-4-carboxylic acid?
The CAS number of Dichloro-1,2-thiazole-4-carboxylic acid is 3889-59-6.
What is the molecular formula of Dichloro-1,2-thiazole-4-carboxylic acid?
The molecular formula of Dichloro-1,2-thiazole-4-carboxylic acid is C4HCl2NO2S.
What is the molecular weight of Dichloro-1,2-thiazole-4-carboxylic acid?
The molecular weight of Dichloro-1,2-thiazole-4-carboxylic acid is 196.91 g/mol.
Where can I buy Dichloro-1,2-thiazole-4-carboxylic acid?
You can request a quote for Dichloro-1,2-thiazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloro-1,2-thiazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Dichloro-1,2-thiazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.