![Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate structure](/static/products/845/845878-95-7.png)
Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate
TL;DR: Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate (CAS 845878-95-7) is a chemical compound with molecular formula C14H12N4OS4 and molecular weight 379.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylmethylsulfanyl-phenacylsulfanylmethylidene]cyanamide
Also Known As: methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate, Methyl [(phenacylcyanocarbonimidodithioyl)methyl] cyanocarbonimidodithioate, [(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylmethylsulfanyl-phenacylsulfanylmethylidene]cyanamide
| Molecular Formula | C14H12N4OS4 |
|---|---|
| Molecular Weight | 379.99 g/mol |
| LogP | 4.06356 |
| Topological Polar Surface Area | 89.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.9894 |
| Heavy Atoms | 23 |
| Complexity | 661.5951 |
Chemical Identifiers
| CAS Number | 845878-95-7 |
|---|---|
| SMILES | CSC(=NC#N)SCSC(=NC#N)SCC(=O)C1=CC=CC=C1 |
Product Overview
Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate (CAS 845878-95-7), with molecular formula C14H12N4OS4 and molecular weight 379.99 g/mol. IUPAC: [(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylmethylsulfanyl-phenacylsulfanylmethylidene]cyanamide.
Chemical Property Profile of Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate
Property Insights of Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate
The XLogP value of 4.06356 indicates that Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate. Following Lipinski's Rule of Five, Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate has 0 hydrogen bond donor(s) and 9 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 Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate?
The CAS number of Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate is 845878-95-7.
What is the molecular formula of Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate?
The molecular formula of Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate is C14H12N4OS4.
What is the molecular weight of Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate?
The molecular weight of Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate is 379.99 g/mol.
Where can I buy Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate?
You can request a quote for Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(phenacylcyanocarbonimidodithioyl)methyl]cyanocarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.