O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate
TL;DR: O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate (CAS 10345-47-8) is a chemical compound with molecular formula C9H8Cl3NOS and molecular weight 282.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate
Also Known As: 2,4,5-Trichlorphenyldimethylthioncarbamat, O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate, O-(2,4,5-trichlorophenyl) dimethylcarbamothioate, Carbamothioic acid,dimethyl-, O-(2,4,5-trichlorophenyl) ester (9CI)
| Molecular Formula | C9H8Cl3NOS |
|---|---|
| Molecular Weight | 282.94 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.9392 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 10345-47-8 |
|---|---|
| SMILES | CN(C)C(=S)OC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | ZWFKQRFVGDPXHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate (CAS 10345-47-8), with molecular formula C9H8Cl3NOS and molecular weight 282.94 g/mol. IUPAC: O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate
Property Insights of O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate
The XLogP value of 4.2 indicates that O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate 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 O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate?
The CAS number of O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate is 10345-47-8.
What is the molecular formula of O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate?
The molecular formula of O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate is C9H8Cl3NOS.
What is the molecular weight of O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate?
The molecular weight of O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate is 282.94 g/mol.
Where can I buy O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate?
You can request a quote for O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.