2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
TL;DR: 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid (CAS 200816-06-4) is a chemical compound with molecular formula C5H7N3O2S and molecular weight 173.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, 4-NITROBENZENESULFONAMIDE, 2-((4-Methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid, CHEMBRDG-BB 4003217, [(4-methyl-4h-1,2,4-triazol-3-yl)thio]acetic acid
| Molecular Formula | C5H7N3O2S |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | -0.0082 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.0259 |
| Heavy Atoms | 11 |
| Complexity | 259.98514 |
Chemical Identifiers
| CAS Number | 200816-06-4 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)O |
Product Overview
2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid (CAS 200816-06-4), with molecular formula C5H7N3O2S and molecular weight 173.03 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
Property Insights of 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
The XLogP value of -0.0082 indicates that 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid has 1 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 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The CAS number of 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is 200816-06-4.
What is the molecular formula of 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The molecular formula of 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is C5H7N3O2S.
What is the molecular weight of 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The molecular weight of 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is 173.03 g/mol.
Where can I buy 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
You can request a quote for 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)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-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.