S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate
TL;DR: S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate (CAS 22857-77-8) is a chemical compound with molecular formula C11H12Cl3NOS and molecular weight 310.97 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-diethylcarbamothioate
Also Known As: S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate, S-(2,4,5-trichlorophenyl) diethylcarbamothioate
| Molecular Formula | C11H12Cl3NOS |
|---|---|
| Molecular Weight | 310.97 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.97052 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 22857-77-8 |
|---|---|
| SMILES | CCN(CC)C(=O)SC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | QJMJNWKVJKFPRE-UHFFFAOYSA-N |
Product Overview
S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate (CAS 22857-77-8), with molecular formula C11H12Cl3NOS and molecular weight 310.97 g/mol. IUPAC: S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate.
Chemical Property Profile of S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate
Property Insights of S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate
The XLogP value of 4.8 indicates that S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate 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-diethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate 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-diethylcarbamothioate?
The CAS number of S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate is 22857-77-8.
What is the molecular formula of S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate?
The molecular formula of S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate is C11H12Cl3NOS.
What is the molecular weight of S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate?
The molecular weight of S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate is 310.97 g/mol.
Where can I buy S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate?
You can request a quote for S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate 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-diethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2,4,5-trichlorophenyl) N,N-diethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.