Triallate
TL;DR: Triallate (CAS 2303-17-5) is a chemical compound with molecular formula C10H16Cl3NOS and molecular weight 303.00183 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate
Also Known As: triallate, Tri-allate, Triallat, Dipthal, Avadex BW
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16Cl3NOS |
| Molecular Weight | 303.00183 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.00183 Da |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
| Melting Point | 34 °C |
| Boiling Point | BP: 117 °C at 0.3 mm Hg |
| Density | 1.273 g/cu cm at 25 °C |
| Flash Point | 90 °C c.c. |
| Vapor Pressure | 0.00012 [mmHg] |
| Solubility | In water, 4 mg/L at 25 °C |
| SMILES | CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl |
| InChIKey | MWBPRDONLNQCFV-UHFFFAOYSA-N |
Product Description
Applications: Triallate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Triallate (CAS 2303-17-5) is a heterocyclic building block with the molecular formula C10H16Cl3NOS and a molecular weight of 303 g/mol. Key physical properties include a density of 1.273 g/cu cm at 25 °C g/cm³, a solubility: In water, 4 mg/L at 25 °C. Synonyms include triallate and Tri-allate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Triallate
Property Insights of Triallate
The XLogP value of 4.4 indicates that Triallate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Triallate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triallate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Triallate?
The CAS number of Triallate is 2303-17-5.
What is the molecular formula of Triallate?
The molecular formula of Triallate is C10H16Cl3NOS.
What is the molecular weight of Triallate?
The molecular weight of Triallate is 303.00183 g/mol.
What are the applications of Triallate?
Triallate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Triallate?
You can request a quote for Triallate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Triallate?
Yes, CoreyChem provides custom synthesis services for Triallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.