5-Methyl-1,2,3-thiadiazole-4-carboxylic acid
TL;DR: 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid (CAS 22097-10-5) is a chemical compound with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylthiadiazole-4-carboxylic acid
Also Known As: 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid, 5-methylthiadiazole-4-carboxylic acid, 5-Methyl-1,2,3-thiadiazole-4-carboxylicacid, 5-methyl-1,2,3-thiadiazolyl-4-carboxylic acid, 1,2,3-Thiadiazole-4-carboxylic acid, 5-methyl-
| Molecular Formula | C4H4N2O2S |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.99934 |
| Heavy Atoms | 9 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 22097-10-5 |
|---|---|
| SMILES | CC1=C(N=NS1)C(=O)O |
| InChIKey | ZLJIFINJKVSIRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-1,2,3-thiadiazole-4-carboxylic acid (CAS 22097-10-5), with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol. IUPAC: 5-methylthiadiazole-4-carboxylic acid.
Chemical Property Profile of 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid
Property Insights of 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid has 1 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 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid?
The CAS number of 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid is 22097-10-5.
What is the molecular formula of 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid?
The molecular formula of 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid is C4H4N2O2S.
What is the molecular weight of 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid?
The molecular weight of 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid is 144.00 g/mol.
Where can I buy 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid?
You can request a quote for 5-Methyl-1,2,3-thiadiazole-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 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.