![2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid structure](/static/products/4360/436095-23-7.webp)
2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid
TL;DR: 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid (CAS 436095-23-7) is a chemical compound with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid
Also Known As: [(1-mesityl-1h-tetrazol-5-yl)thio]acetic acid|2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetic Acid|{[1-(2,4,6-Trimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetic acid|2-[[1-(2,4,6-Trimethylphenyl)-1H-tetrazol-5-yl]thio]acetic acid
| Molecular Formula | C12H14N4O2S |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 1.76426 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.08374 |
| Heavy Atoms | 19 |
| Complexity | 600.9371 |
Chemical Identifiers
| CAS Number | 436095-23-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)O)C |
Product Overview
2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid (CAS 436095-23-7), with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol. IUPAC: 2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid.
Chemical Property Profile of 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid
Property Insights of 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid
The XLogP value of 1.76426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid. Following Lipinski's Rule of Five, 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic 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-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid?
The CAS number of 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid is 436095-23-7.
What is the molecular formula of 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid?
The molecular formula of 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid is C12H14N4O2S.
What is the molecular weight of 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid?
The molecular weight of 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid is 278.08 g/mol.
Where can I buy 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid?
You can request a quote for 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.