![Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester structure](/static/products/3206/3206-49-3.webp)
Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester
TL;DR: Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester (CAS 3206-49-3) is a chemical compound with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
Also Known As: BAS 00676188, methyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate, Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester, methyl 2-((1-phenyl-1H-tetrazol-5-yl)thio)acetate, Methyl [(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetate
| Molecular Formula | C10H10N4O2S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 0.9274 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.05244 |
| Heavy Atoms | 17 |
| Complexity | 500.0168 |
Chemical Identifiers
| CAS Number | 3206-49-3 |
|---|---|
| SMILES | COC(=O)CSC1=NN=NN1C2=CC=CC=C2 |
Product Overview
Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester (CAS 3206-49-3), with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol. IUPAC: methyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate.
Chemical Property Profile of Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester
Property Insights of Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester
The XLogP value of 0.9274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester has 0 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 Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester?
The CAS number of Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester is 3206-49-3.
What is the molecular formula of Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester?
The molecular formula of Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester is C10H10N4O2S.
What is the molecular weight of Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester?
The molecular weight of Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester is 250.05 g/mol.
Where can I buy Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester?
You can request a quote for Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.