Dithiopyr
TL;DR: Dithiopyr (CAS 97886-45-8) is a chemical compound with molecular formula C15H16F5NO2S2 and molecular weight 401.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-S,5-S-dimethyl 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarbothioate
Also Known As: Dithiopyr, Dimension, Dithiopyr [ISO], dictran, Dimention
| Molecular Formula | C15H16F5NO2S2 |
|---|---|
| Molecular Weight | 401.05 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.05426 |
| Heavy Atoms | 25 |
| Complexity | 487.0 |
| Boiling Point | 65 °C |
| Density | 1.413 g/cu cm at 25 °C (typical) |
| Solubility | In water, 1.4 mg/L at 20 °C |
| Vapor Pressure | 4.0X10-6 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 97886-45-8 |
|---|---|
| SMILES | CC(C)CC1=C(C(=NC(=C1C(=O)SC)C(F)(F)F)C(F)F)C(=O)SC |
| InChIKey | YUBJPYNSGLJZPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dithiopyr (CAS 97886-45-8), with molecular formula C15H16F5NO2S2 and molecular weight 401.05 g/mol. IUPAC: 3-S,5-S-dimethyl 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarbothioate.
Chemical Property Profile of Dithiopyr
Property Insights of Dithiopyr
The XLogP value of 4.8 indicates that Dithiopyr is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithiopyr. Following Lipinski's Rule of Five, Dithiopyr has 0 hydrogen bond donor(s) and 10 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 Dithiopyr?
The CAS number of Dithiopyr is 97886-45-8.
What is the molecular formula of Dithiopyr?
The molecular formula of Dithiopyr is C15H16F5NO2S2.
What is the molecular weight of Dithiopyr?
The molecular weight of Dithiopyr is 401.05 g/mol.
Where can I buy Dithiopyr?
You can request a quote for Dithiopyr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiopyr?
Yes, KEHONG BIO provides custom synthesis services for Dithiopyr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.