2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate
TL;DR: 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate (CAS 372152-57-3) is a chemical compound with molecular formula C12H12ClF3N2O2S2 and molecular weight 372.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-3-nitro-5-(trifluoromethyl)phenyl] N,N-diethylcarbamodithioate
Also Known As: 2-chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate, 2-chloro-3-nitro-5-(trifluoromethyl)phenyl diethyldithiocarbamate, [2-chloro-3-nitro-5-(trifluoromethyl)phenyl] N,N-diethylcarbamodithioate, (diethylamino)[2-chloro-3-nitro-5-(trifluoromethyl)phenylthio]methane-1-thione
| Molecular Formula | C12H12ClF3N2O2S2 |
|---|---|
| Molecular Weight | 372.00 g/mol |
| LogP | 4.9858 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.99808 |
| Heavy Atoms | 22 |
| Complexity | 592.4695 |
Chemical Identifiers
| CAS Number | 372152-57-3 |
|---|---|
| SMILES | CCN(CC)C(=S)SC1=CC(=CC(=C1Cl)[N+](=O)[O-])C(F)(F)F |
Product Overview
2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate (CAS 372152-57-3), with molecular formula C12H12ClF3N2O2S2 and molecular weight 372.00 g/mol. IUPAC: [2-chloro-3-nitro-5-(trifluoromethyl)phenyl] N,N-diethylcarbamodithioate.
Chemical Property Profile of 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate
Property Insights of 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate
The XLogP value of 4.9858 indicates that 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate has 0 hydrogen bond donor(s) and 4 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 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate?
The CAS number of 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate is 372152-57-3.
What is the molecular formula of 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate?
The molecular formula of 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate is C12H12ClF3N2O2S2.
What is the molecular weight of 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate?
The molecular weight of 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate is 372.00 g/mol.
Where can I buy 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate?
You can request a quote for 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-nitro-5-(trifluoromethyl)phenyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.