![[3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid structure](/static/products/879/879447-36-6.png)
[3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid
TL;DR: [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid (CAS 879447-36-6) is a chemical compound with molecular formula C7H7N5O2S and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid
Also Known As: [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid|2-(3-mercapto-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)acetic acid|[3-(1H-pyrazol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid|2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid|2-[3-(2H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic Acid
| Molecular Formula | C7H7N5O2S |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 0.41539 |
| Topological Polar Surface Area | 99.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.03204 |
| Heavy Atoms | 15 |
| Complexity | 525.823 |
Chemical Identifiers
| CAS Number | 879447-36-6 |
|---|---|
| SMILES | C1=C(NN=C1)C2=NNC(=S)N2CC(=O)O |
Product Overview
[3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid (CAS 879447-36-6), with molecular formula C7H7N5O2S and molecular weight 225.03 g/mol. IUPAC: 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid.
Chemical Property Profile of [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid
Property Insights of [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid
The XLogP value of 0.41539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid. The TPSA of 99.59 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid. Following Lipinski's Rule of Five, [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid has 3 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-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid?
The CAS number of [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid is 879447-36-6.
What is the molecular formula of [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid?
The molecular formula of [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid is C7H7N5O2S.
What is the molecular weight of [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid?
The molecular weight of [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid is 225.03 g/mol.
Where can I buy [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid?
You can request a quote for [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [3-(1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.