![S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate structure](/static/products/4947/494763-58-5.webp)
S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate
TL;DR: S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate (CAS 494763-58-5) is a chemical compound with molecular formula C22H11ClN2O2S2 and molecular weight 434.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[4-chloro-3-(4-cyanobenzoyl)sulfanylphenyl] 4-cyanobenzenecarbothioate
Also Known As: S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate, AI-204/31712048, S-[4-chloro-3-(4-cyanobenzoyl)sulfanylphenyl] 4-cyanobenzenecarbothioate
| Molecular Formula | C22H11ClN2O2S2 |
|---|---|
| Molecular Weight | 434.00 g/mol |
| LogP | 5.94836 |
| Topological Polar Surface Area | 81.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.99506 |
| Heavy Atoms | 29 |
| Complexity | 1161.402 |
Chemical Identifiers
| CAS Number | 494763-58-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)SC2=CC(=C(C=C2)Cl)SC(=O)C3=CC=C(C=C3)C#N |
Product Overview
S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate (CAS 494763-58-5), with molecular formula C22H11ClN2O2S2 and molecular weight 434.00 g/mol. IUPAC: S-[4-chloro-3-(4-cyanobenzoyl)sulfanylphenyl] 4-cyanobenzenecarbothioate.
Chemical Property Profile of S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate
Property Insights of S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate
The XLogP value of 5.94836 indicates that S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.72 Ų falls within the moderate polarity range, balancing permeability and solubility for S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate. Following Lipinski's Rule of Five, S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate 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 S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate?
The CAS number of S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate is 494763-58-5.
What is the molecular formula of S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate?
The molecular formula of S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate is C22H11ClN2O2S2.
What is the molecular weight of S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate?
The molecular weight of S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate is 434.00 g/mol.
Where can I buy S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate?
You can request a quote for S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-{2-chloro-5-[(4-cyanobenzoyl)sulfanyl]phenyl} 4-cyanobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.