![5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid structure](/static/products/303/303065-47-6.png)
5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid
TL;DR: 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid (CAS 303065-47-6) 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.
5-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-3-carboxylic acid
Also Known As: TimTec1_005136, 2-(((1H-1,2,4-triazol-5-yl)thio)methyl)-5-methylfuran-3-carboxylic acid, 5-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-3-carboxylic acid, 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid
| Molecular Formula | C9H9N3O3S |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.03647 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 303065-47-6 |
|---|---|
| SMILES | CC1=CC(=C(O1)CSC2=NC=NN2)C(=O)O |
| InChIKey | PSKJNTBEQBLDNV-UHFFFAOYSA-N |
Product Overview
5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid (CAS 303065-47-6), with molecular formula C9H9N3O3S and molecular weight 239.04 g/mol. IUPAC: 5-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-3-carboxylic acid.
Chemical Property Profile of 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid
Property Insights of 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid. Following Lipinski's Rule of Five, 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid?
The CAS number of 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid is 303065-47-6.
What is the molecular formula of 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid?
The molecular formula of 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid is C9H9N3O3S.
What is the molecular weight of 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid?
The molecular weight of 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid is 239.04 g/mol.
Where can I buy 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid?
You can request a quote for 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.