2-(1H)Pyridinethione, 3-benzoyloxy-
TL;DR: 2-(1H)Pyridinethione, 3-benzoyloxy- (CAS 22574-12-5) is a chemical compound with molecular formula C12H9NO2S and molecular weight 231.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-sulfanylidene-1H-pyridin-3-yl) benzoate
Also Known As: 2-(1H)Pyridinethione, 3-benzoyloxy-, Phenylcarbonyloxy(pyridine-2-thione), (2-sulfanylidene-1H-pyridin-3-yl) benzoate, 2-Thioxo-1,2-dihydro-3-pyridinyl benzoate #
| Molecular Formula | C12H9NO2S |
|---|---|
| Molecular Weight | 231.04 g/mol |
| LogP | 2.96339 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.0354 |
| Heavy Atoms | 16 |
| Complexity | 548.20013 |
Chemical Identifiers
| CAS Number | 22574-12-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CNC2=S |
Product Overview
2-(1H)Pyridinethione, 3-benzoyloxy- (CAS 22574-12-5), with molecular formula C12H9NO2S and molecular weight 231.04 g/mol. IUPAC: (2-sulfanylidene-1H-pyridin-3-yl) benzoate.
Chemical Property Profile of 2-(1H)Pyridinethione, 3-benzoyloxy-
Property Insights of 2-(1H)Pyridinethione, 3-benzoyloxy-
The XLogP value of 2.96339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H)Pyridinethione, 3-benzoyloxy-. With a topological polar surface area (TPSA) of 42.09 Ų, 2-(1H)Pyridinethione, 3-benzoyloxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H)Pyridinethione, 3-benzoyloxy- 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-benzoyloxy-?
The CAS number of 2-(1H)Pyridinethione, 3-benzoyloxy- is 22574-12-5.
What is the molecular formula of 2-(1H)Pyridinethione, 3-benzoyloxy-?
The molecular formula of 2-(1H)Pyridinethione, 3-benzoyloxy- is C12H9NO2S.
What is the molecular weight of 2-(1H)Pyridinethione, 3-benzoyloxy-?
The molecular weight of 2-(1H)Pyridinethione, 3-benzoyloxy- is 231.04 g/mol.
Where can I buy 2-(1H)Pyridinethione, 3-benzoyloxy-?
You can request a quote for 2-(1H)Pyridinethione, 3-benzoyloxy- 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-benzoyloxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H)Pyridinethione, 3-benzoyloxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.