Acetic acid, thio-, 2-(acetamidophenyl) ester
TL;DR: Acetic acid, thio-, 2-(acetamidophenyl) ester (CAS 28045-65-0) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2-acetamidophenyl) ethanethioate
Also Known As: 2-Acetamidophenyl thioacetate, O-(2-acetamidophenyl) ethanethioate, ACETIC ACID, THIO-, 2-(ACETAMIDOPHENYL) ESTER, 3-12-00-00929 (Beilstein Handbook Reference), RefChem:1075843
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 28045-65-0 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC=C1OC(=S)C |
| InChIKey | OFYPTJKINUWOPA-UHFFFAOYSA-N |
Product Overview
Acetic acid, thio-, 2-(acetamidophenyl) ester (CAS 28045-65-0), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: O-(2-acetamidophenyl) ethanethioate.
Chemical Property Profile of Acetic acid, thio-, 2-(acetamidophenyl) ester
Property Insights of Acetic acid, thio-, 2-(acetamidophenyl) ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, thio-, 2-(acetamidophenyl) ester. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, thio-, 2-(acetamidophenyl) ester. Following Lipinski's Rule of Five, Acetic acid, thio-, 2-(acetamidophenyl) ester has 1 hydrogen bond donor(s) and 3 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, thio-, 2-(acetamidophenyl) ester?
The CAS number of Acetic acid, thio-, 2-(acetamidophenyl) ester is 28045-65-0.
What is the molecular formula of Acetic acid, thio-, 2-(acetamidophenyl) ester?
The molecular formula of Acetic acid, thio-, 2-(acetamidophenyl) ester is C10H11NO2S.
What is the molecular weight of Acetic acid, thio-, 2-(acetamidophenyl) ester?
The molecular weight of Acetic acid, thio-, 2-(acetamidophenyl) ester is 209.05 g/mol.
Where can I buy Acetic acid, thio-, 2-(acetamidophenyl) ester?
You can request a quote for Acetic acid, thio-, 2-(acetamidophenyl) 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, thio-, 2-(acetamidophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, thio-, 2-(acetamidophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.