1,2,4-三唑-3-磺酸
TL;DR: 1,2,4-三唑-3-磺酸 (CAS 13789-27-0) is a chemical compound with molecular formula C2H3N3O3S and molecular weight 148.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-三唑-3-磺酸
1H-1,2,4-triazole-5-sulfonic acid
Also Known As: 1h-1,2,4-triazole-3-sulfonic acid, 1H-1,2,4-triazole-5-sulfonic acid, 1,2,4-Triazole-3-sulphonic acid, 1H-1,2,4-Triazole-3-sulfonicacid, 1,2,4-Triazole-3-sulfonic acid
| Molecular Formula | C2H3N3O3S |
|---|---|
| Molecular Weight | 148.99 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.98952 |
| Heavy Atoms | 9 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 13789-27-0 |
|---|---|
| SMILES | C1=NNC(=N1)S(=O)(=O)O |
| InChIKey | OWYWZFDZZRRXCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-三唑-3-磺酸 (CAS 13789-27-0), with molecular formula C2H3N3O3S and molecular weight 148.99 g/mol. IUPAC: 1H-1,2,4-triazole-5-sulfonic acid.
Chemical Property Profile of 1,2,4-三唑-3-磺酸
Property Insights of 1,2,4-三唑-3-磺酸
The XLogP value of -0.9 indicates that 1,2,4-三唑-3-磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-三唑-3-磺酸. Following Lipinski's Rule of Five, 1,2,4-三唑-3-磺酸 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 1,2,4-三唑-3-磺酸?
The CAS number of 1,2,4-三唑-3-磺酸 is 13789-27-0.
What is the molecular formula of 1,2,4-三唑-3-磺酸?
The molecular formula of 1,2,4-三唑-3-磺酸 is C2H3N3O3S.
What is the molecular weight of 1,2,4-三唑-3-磺酸?
The molecular weight of 1,2,4-三唑-3-磺酸 is 148.99 g/mol.
Where can I buy 1,2,4-三唑-3-磺酸?
You can request a quote for 1,2,4-三唑-3-磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-三唑-3-磺酸?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-三唑-3-磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.