1,2,3-Thiadiazole-4-carboxylic acid
TL;DR: 1,2,3-Thiadiazole-4-carboxylic acid (CAS 4100-13-4) is a chemical compound with molecular formula C3H2N2O2S and molecular weight 129.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiadiazole-4-carboxylic acid
Also Known As: 1,2,3-thiadiazole-4-carboxylic acid, 1-Naphthhydrazide, thiadiazole-4-carboxylic acid, thiadiazolecarboxylicacid, 4-thiadiazolecarboxylic acid
| Molecular Formula | C3H2N2O2S |
|---|---|
| Molecular Weight | 129.98 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.9837 |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 4100-13-4 |
|---|---|
| SMILES | C1=C(N=NS1)C(=O)O |
| InChIKey | HJZYBDPHAHGHAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Thiadiazole-4-carboxylic acid (CAS 4100-13-4), with molecular formula C3H2N2O2S and molecular weight 129.98 g/mol. IUPAC: thiadiazole-4-carboxylic acid.
Chemical Property Profile of 1,2,3-Thiadiazole-4-carboxylic acid
Property Insights of 1,2,3-Thiadiazole-4-carboxylic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Thiadiazole-4-carboxylic acid. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Thiadiazole-4-carboxylic acid. Following Lipinski's Rule of Five, 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 1,2,3-Thiadiazole-4-carboxylic acid?
The CAS number of 1,2,3-Thiadiazole-4-carboxylic acid is 4100-13-4.
What is the molecular formula of 1,2,3-Thiadiazole-4-carboxylic acid?
The molecular formula of 1,2,3-Thiadiazole-4-carboxylic acid is C3H2N2O2S.
What is the molecular weight of 1,2,3-Thiadiazole-4-carboxylic acid?
The molecular weight of 1,2,3-Thiadiazole-4-carboxylic acid is 129.98 g/mol.
Where can I buy 1,2,3-Thiadiazole-4-carboxylic acid?
You can request a quote for 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 1,2,3-Thiadiazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Thiadiazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.