![Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate structure](/static/products/3387/338761-96-9.webp)
Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate
TL;DR: Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate (CAS 338761-96-9) is a chemical compound with molecular formula C13H11ClO2S4 and molecular weight 361.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(4-chlorophenyl)methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate
Also Known As: Bionet1_000788, 5H-011, ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate, ethyl 5-[(4-chlorophenyl)methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate, ethyl 5-{[(4-chlorophenyl)methyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiole-4-carboxylate
| Molecular Formula | C13H11ClO2S4 |
|---|---|
| Molecular Weight | 361.93 g/mol |
| LogP | 5.66149 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.93304 |
| Heavy Atoms | 20 |
| Complexity | 645.1359 |
Chemical Identifiers
| CAS Number | 338761-96-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=S)S1)SCC2=CC=C(C=C2)Cl |
Product Overview
Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate (CAS 338761-96-9), with molecular formula C13H11ClO2S4 and molecular weight 361.93 g/mol. IUPAC: ethyl 5-[(4-chlorophenyl)methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate.
Chemical Property Profile of Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate
Property Insights of Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate
The XLogP value of 5.66149 indicates that Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate?
The CAS number of Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate is 338761-96-9.
What is the molecular formula of Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate?
The molecular formula of Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate is C13H11ClO2S4.
What is the molecular weight of Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate?
The molecular weight of Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate is 361.93 g/mol.
Where can I buy Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate?
You can request a quote for Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-[(4-chlorobenzyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.