S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate
TL;DR: S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate (CAS 14672-81-2) 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.
S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate
Also Known As: S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate, S-(2,4,5-Trichlorophenyl) dimethylcarbamothioate, RefChem:379398
| Molecular Formula | C9H8Cl3NOS |
|---|---|
| Molecular Weight | 282.94 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 45.6 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 | 14672-81-2 |
|---|---|
| SMILES | CN(C)C(=O)SC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | YMFCZAXKYCPQHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate (CAS 14672-81-2), with molecular formula C9H8Cl3NOS and molecular weight 282.94 g/mol. IUPAC: S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate
Property Insights of S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate
The XLogP value of 4.1 indicates that S-(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 45.6 Ų, S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(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 S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate?
The CAS number of S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate is 14672-81-2.
What is the molecular formula of S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate?
The molecular formula of S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate is C9H8Cl3NOS.
What is the molecular weight of S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate?
The molecular weight of S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate is 282.94 g/mol.
Where can I buy S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate?
You can request a quote for S-(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 S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2,4,5-trichlorophenyl) N,N-dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.