Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
TL;DR: Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate (CAS 13980-78-4) is a chemical compound with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
Also Known As: Maybridge3_003080, ChemDiv3_006228, ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate, ethyl 2-((1-phenyl-1H-tetrazol-5-yl)thio)acetate, IDI1_014467
| Molecular Formula | C11H12N4O2S |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.06808 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 13980-78-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=NN1C2=CC=CC=C2 |
| InChIKey | ZZEPFFJCNRUHDM-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate (CAS 13980-78-4), with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol. IUPAC: ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
Property Insights of Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate 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 Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate?
The CAS number of Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate is 13980-78-4.
What is the molecular formula of Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate?
The molecular formula of Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate is C11H12N4O2S.
What is the molecular weight of Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate?
The molecular weight of Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate is 264.07 g/mol.
Where can I buy Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate?
You can request a quote for Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.