3-Methyl-1,2-thiazole-4-carboxylic acid
TL;DR: 3-Methyl-1,2-thiazole-4-carboxylic acid (CAS 15903-66-9) is a chemical compound with molecular formula C5H5NO2S and molecular weight 143.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2-thiazole-4-carboxylic acid
Also Known As: 3-METHYLISOTHIAZOLE-4-CARBOXYLIC ACID, 3-methyl-1,2-thiazole-4-carboxylic acid, 3-Methyl-isothiazole-4-carboxylic acid, 4-Isothiazolecarboxylic acid, 3-methyl-, 3-Methyl-4-isothiazolecarboxylic acid
| Molecular Formula | C5H5NO2S |
|---|---|
| Molecular Weight | 143.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.0041 |
| Heavy Atoms | 9 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 15903-66-9 |
|---|---|
| SMILES | CC1=NSC=C1C(=O)O |
| InChIKey | BOTUFHIAKJCIPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1,2-thiazole-4-carboxylic acid (CAS 15903-66-9), with molecular formula C5H5NO2S and molecular weight 143.00 g/mol. IUPAC: 3-methyl-1,2-thiazole-4-carboxylic acid.
Chemical Property Profile of 3-Methyl-1,2-thiazole-4-carboxylic acid
Property Insights of 3-Methyl-1,2-thiazole-4-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,2-thiazole-4-carboxylic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1,2-thiazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-Methyl-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 3-Methyl-1,2-thiazole-4-carboxylic acid?
The CAS number of 3-Methyl-1,2-thiazole-4-carboxylic acid is 15903-66-9.
What is the molecular formula of 3-Methyl-1,2-thiazole-4-carboxylic acid?
The molecular formula of 3-Methyl-1,2-thiazole-4-carboxylic acid is C5H5NO2S.
What is the molecular weight of 3-Methyl-1,2-thiazole-4-carboxylic acid?
The molecular weight of 3-Methyl-1,2-thiazole-4-carboxylic acid is 143.00 g/mol.
Where can I buy 3-Methyl-1,2-thiazole-4-carboxylic acid?
You can request a quote for 3-Methyl-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 3-Methyl-1,2-thiazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,2-thiazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.