![(5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid structure](/static/products/6205/62054-72-2.webp)
(5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
TL;DR: (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (CAS 62054-72-2) is a chemical compound with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: ChemDiv1_008629, (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, [(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid, 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, BAS 01368077
| Molecular Formula | C10H9N3O2S |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.04155 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 62054-72-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O |
| InChIKey | NBGARSVWAUUWLK-UHFFFAOYSA-N |
Product Overview
(5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (CAS 62054-72-2), with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol. IUPAC: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
Property Insights of (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (5-Phenyl-4H-[1,2,4]triazol-3-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 (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The CAS number of (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is 62054-72-2.
What is the molecular formula of (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The molecular formula of (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is C10H9N3O2S.
What is the molecular weight of (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The molecular weight of (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is 235.04 g/mol.
Where can I buy (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
You can request a quote for (5-Phenyl-4H-[1,2,4]triazol-3-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 (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.