Triallate
TL;DR: Triallate (CAS 2303-17-5) is a chemical compound with molecular formula C10H16Cl3NOS and molecular weight 303.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate
Also Known As: triallate, Tri-allate, Triallat, Dipthal, Avadex BW
| Molecular Formula | C10H16Cl3NOS |
|---|---|
| Molecular Weight | 303.00 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.00183 |
| 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 |
| Solubility | In water, 4 mg/L at 25 °C |
| Flash Point | 90 °C c.c. |
| Vapor Pressure | 0.00012 [mmHg] |
Chemical Identifiers
| CAS Number | 2303-17-5 |
|---|---|
| SMILES | CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl |
| InChIKey | MWBPRDONLNQCFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triallate (CAS 2303-17-5), with molecular formula C10H16Cl3NOS and molecular weight 303.00 g/mol. IUPAC: S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate.
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
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 303.00 g/mol.
Where can I buy Triallate?
You can request a quote for Triallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triallate?
Yes, KEHONG BIO provides custom synthesis services for Triallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.