Pyrithiobac
TL;DR: Pyrithiobac (CAS 123342-93-8) is a chemical compound with molecular formula C13H11ClN2O4S and molecular weight 326.01282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid
Also Known As: Pyrithiobac, Pyrithiobac [ISO], PYRITHIOBAC [MI], 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid, 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H11ClN2O4S |
| Molecular Weight | 326.01282 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.01282 Da |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
| SMILES | COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)O)OC |
| InChIKey | QEGVVEOAVNHRAA-UHFFFAOYSA-N |
Chemical Property Profile of Pyrithiobac
Property Insights of Pyrithiobac
The XLogP value of 3.4 indicates that Pyrithiobac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrithiobac. Following Lipinski's Rule of Five, Pyrithiobac has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrithiobac?
The CAS number of Pyrithiobac is 123342-93-8.
What is the molecular formula of Pyrithiobac?
The molecular formula of Pyrithiobac is C13H11ClN2O4S.
What is the molecular weight of Pyrithiobac?
The molecular weight of Pyrithiobac is 326.01282 g/mol.
Where can I buy Pyrithiobac?
You can request a quote for Pyrithiobac directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrithiobac?
Yes, CoreyChem provides custom synthesis services for Pyrithiobac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.