2(1H)-Pyridinethione, 3-(acetyloxy)-
TL;DR: 2(1H)-Pyridinethione, 3-(acetyloxy)- (CAS 5222-34-4) is a chemical compound with molecular formula C7H7NO2S and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-sulfanylidene-1H-pyridin-3-yl) acetate
Also Known As: 2(1H)-Pyridinethione, 3-(acetyloxy)-, 3-acetoxy-2-mercaptopyridine, 2-Sulfanylpyridin-3-yl acetate, 2(1H)-Pyridinethione, 3-acetoxy-, (2-sulfanylidene-1H-pyridin-3-yl) acetate
| Molecular Formula | C7H7NO2S |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 1.66949 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.01974 |
| Heavy Atoms | 11 |
| Complexity | 318.21664 |
Chemical Identifiers
| CAS Number | 5222-34-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CNC1=S |
Product Overview
2(1H)-Pyridinethione, 3-(acetyloxy)- (CAS 5222-34-4), with molecular formula C7H7NO2S and molecular weight 169.02 g/mol. IUPAC: (2-sulfanylidene-1H-pyridin-3-yl) acetate.
Chemical Property Profile of 2(1H)-Pyridinethione, 3-(acetyloxy)-
Property Insights of 2(1H)-Pyridinethione, 3-(acetyloxy)-
The XLogP value of 1.66949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyridinethione, 3-(acetyloxy)-. With a topological polar surface area (TPSA) of 42.09 Ų, 2(1H)-Pyridinethione, 3-(acetyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Pyridinethione, 3-(acetyloxy)- 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 2(1H)-Pyridinethione, 3-(acetyloxy)-?
The CAS number of 2(1H)-Pyridinethione, 3-(acetyloxy)- is 5222-34-4.
What is the molecular formula of 2(1H)-Pyridinethione, 3-(acetyloxy)-?
The molecular formula of 2(1H)-Pyridinethione, 3-(acetyloxy)- is C7H7NO2S.
What is the molecular weight of 2(1H)-Pyridinethione, 3-(acetyloxy)-?
The molecular weight of 2(1H)-Pyridinethione, 3-(acetyloxy)- is 169.02 g/mol.
Where can I buy 2(1H)-Pyridinethione, 3-(acetyloxy)-?
You can request a quote for 2(1H)-Pyridinethione, 3-(acetyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Pyridinethione, 3-(acetyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyridinethione, 3-(acetyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.