![[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid structure](/static/products/436/436089-05-3.png)
[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
TL;DR: [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid (CAS 436089-05-3) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: BAS 03937881, [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, (5-Benzyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 1.5826 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 539.5105 |
Chemical Identifiers
| CAS Number | 436089-05-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2 |
Product Overview
[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid (CAS 436089-05-3), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Property Insights of [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
The XLogP value of 1.5826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, [(5-benzyl-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 [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The CAS number of [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid is 436089-05-3.
What is the molecular formula of [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The molecular formula of [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid is C12H13N3O2S.
What is the molecular weight of [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The molecular weight of [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid is 263.07 g/mol.
Where can I buy [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
You can request a quote for [(5-benzyl-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 [(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(5-benzyl-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.