2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid
TL;DR: 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid (CAS 24127-58-0) is a chemical compound with molecular formula C4H5N3O2S and molecular weight 159.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid
Also Known As: (4H-1,2,4-triazol-3-ylsulfanyl)acetic acid, Carboximethylthio-1,2,4-triazol, (4H-1,2,4-triazol-3-ylthio)acetic acid, 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid, 2-((4H-1,2,4-Triazol-3-yl)thio)acetic acid
| Molecular Formula | C4H5N3O2S |
|---|---|
| Molecular Weight | 159.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.01025 |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 24127-58-0 |
|---|---|
| SMILES | C1=NNC(=N1)SCC(=O)O |
| InChIKey | ZENBUDIZSYJIIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid (CAS 24127-58-0), with molecular formula C4H5N3O2S and molecular weight 159.01 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid.
Chemical Property Profile of 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid
Property Insights of 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid 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 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid?
The CAS number of 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid is 24127-58-0.
What is the molecular formula of 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid?
The molecular formula of 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid is C4H5N3O2S.
What is the molecular weight of 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid?
The molecular weight of 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid is 159.01 g/mol.
Where can I buy 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid?
You can request a quote for 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.