Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester
TL;DR: Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester (CAS 53636-44-5) is a chemical compound with molecular formula C8H7N5OS and molecular weight 221.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[2-(2H-tetrazol-5-yl)-3-pyridinyl] ethanethioate
Also Known As: 3-Acetylmercapto-2-(5-tetrazolyl)-pyridin, O-[2-(2H-tetrazol-5-yl)pyridin-3-yl] ethanethioate, S-(2-(1H-Tetrazol-5-yl)-3-pyridinyl) ethanethioate, Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester, thioacetic acid S-[2-(1H-tetrazol-5-yl)-pyridin-3-yl] ester
| Molecular Formula | C8H7N5OS |
|---|---|
| Molecular Weight | 221.04 g/mol |
| LogP | 0.9878 |
| Topological Polar Surface Area | 76.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.03712 |
| Heavy Atoms | 15 |
| Complexity | 469.64407 |
Chemical Identifiers
| CAS Number | 53636-44-5 |
|---|---|
| SMILES | CC(=S)OC1=C(N=CC=C1)C2=NNN=N2 |
Product Overview
Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester (CAS 53636-44-5), with molecular formula C8H7N5OS and molecular weight 221.04 g/mol. IUPAC: O-[2-(2H-tetrazol-5-yl)-3-pyridinyl] ethanethioate.
Chemical Property Profile of Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester
Property Insights of Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester
The XLogP value of 0.9878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester. The TPSA of 76.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester. Following Lipinski's Rule of Five, Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester has 1 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 Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester?
The CAS number of Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester is 53636-44-5.
What is the molecular formula of Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester?
The molecular formula of Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester is C8H7N5OS.
What is the molecular weight of Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester?
The molecular weight of Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester is 221.04 g/mol.
Where can I buy Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester?
You can request a quote for Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, S-(2-(1H-tetrazol-5-yl)-3-pyridinyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.