![benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate structure](/static/products/5857/5857-82-9.webp)
benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate
TL;DR: benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate (CAS 5857-82-9) is a chemical compound with molecular formula C21H18ClN3O2S2 and molecular weight 443.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate
Also Known As: benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate, Benzyl N'-{[(4-chlorobenzene-1-sulfonyl)imino](phenyl)methyl}carbamimidothioate, N-(amino-benzylsulfanyl-methylidene)-N'-(4-chlorophenyl)sulfonyl-benzenecarboximidamide
| Molecular Formula | C21H18ClN3O2S2 |
|---|---|
| Molecular Weight | 443.05 g/mol |
| LogP | 4.7236 |
| Topological Polar Surface Area | 84.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.0529 |
| Heavy Atoms | 29 |
| Complexity | 1115.6074 |
Chemical Identifiers
| CAS Number | 5857-82-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=NC(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)N |
Product Overview
benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate (CAS 5857-82-9), with molecular formula C21H18ClN3O2S2 and molecular weight 443.05 g/mol. IUPAC: benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate.
Chemical Property Profile of benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate
Property Insights of benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate
The XLogP value of 4.7236 indicates that benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.88 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate. Following Lipinski's Rule of Five, benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate has 1 hydrogen bond donor(s) and 3 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 benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate?
The CAS number of benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate is 5857-82-9.
What is the molecular formula of benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate?
The molecular formula of benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate is C21H18ClN3O2S2.
What is the molecular weight of benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate?
The molecular weight of benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate is 443.05 g/mol.
Where can I buy benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate?
You can request a quote for benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N'-[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.