![[3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid structure](/static/products/851/851116-15-9.png)
[3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid
TL;DR: [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid (CAS 851116-15-9) is a chemical compound with molecular formula C10H8ClN3O2S and molecular weight 269.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid
Also Known As: [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid|2-(3-(4-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)acetic acid|2-[3-(4-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid|2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic Acid|2-(3-(4-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)aceticacid|2-[3-(4-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic Acid|2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetic acid|[3-(4-CHLOROPHENYL)-5-SULFANYLIDENE-1H-1,2,4-TRIAZOL-4-YL]ACETIC ACID|2-[3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl]acetic acid|4H-1,2,4-Triazole-4-acetic acid, 3-(4-chlorophenyl)-1,5-dihydro-5-thioxo-|MFCD06655795|EN300-13324
| Molecular Formula | C10H8ClN3O2S |
|---|---|
| Molecular Weight | 269.00 g/mol |
| LogP | 2.34569 |
| Topological Polar Surface Area | 70.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.00256 |
| Heavy Atoms | 17 |
| Complexity | 602.7587 |
Chemical Identifiers
| CAS Number | 851116-15-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=S)N2CC(=O)O)Cl |
Product Overview
[3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid (CAS 851116-15-9), with molecular formula C10H8ClN3O2S and molecular weight 269.00 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid.
Chemical Property Profile of [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid
Property Insights of [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid
The XLogP value of 2.34569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid. The TPSA of 70.91 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid. Following Lipinski's Rule of Five, [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid has 2 hydrogen bond donor(s) and 3 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-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid?
The CAS number of [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid is 851116-15-9.
What is the molecular formula of [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid?
The molecular formula of [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid is C10H8ClN3O2S.
What is the molecular weight of [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid?
The molecular weight of [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid is 269.00 g/mol.
Where can I buy [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid?
You can request a quote for [3-(4-chlorophenyl)-5-mercapto-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-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.