2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
TL;DR: 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 436089-92-8) is a chemical compound with molecular formula C9H9N3O3S and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid, (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, BAS 03067597, 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid, (5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfa
| Molecular Formula | C9H9N3O3S |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 1.2518 |
| Topological Polar Surface Area | 81.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.03647 |
| Heavy Atoms | 16 |
| Complexity | 492.0772 |
Chemical Identifiers
| CAS Number | 436089-92-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)O)C2=CC=CO2 |
Product Overview
2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 436089-92-8), with molecular formula C9H9N3O3S and molecular weight 239.04 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
Property Insights of 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
The XLogP value of 1.2518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid. The TPSA of 81.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid has 1 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-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The CAS number of 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid is 436089-92-8.
What is the molecular formula of 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular formula of 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid is C9H9N3O3S.
What is the molecular weight of 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular weight of 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid is 239.04 g/mol.
Where can I buy 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
You can request a quote for 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)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-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.