![[(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate structure](/static/products/845/845879-06-3.png)
[(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate
TL;DR: [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate (CAS 845879-06-3) is a chemical compound with molecular formula C10H7N5S4 and molecular weight 324.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-amino-3,5-dicyanothiophen-2-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamide
Also Known As: [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate, AI-067/31569052, [(4-amino-3,5-dicyanothiophen-2-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamide, [(4-Amino-3,5-dicyanothiophen-2-ylthio)methyl] methyl cyanocarbonimidodithioate, [(4-amino-3,5-dicyano-2-thienyl)sulfanylmethylsulfanyl-methylsulfanyl-methylene]cyanamide
| Molecular Formula | C10H7N5S4 |
|---|---|
| Molecular Weight | 324.96 g/mol |
| LogP | 3.05654 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.95844 |
| Heavy Atoms | 19 |
| Complexity | 613.5804 |
Chemical Identifiers
| CAS Number | 845879-06-3 |
|---|---|
| SMILES | CSC(=NC#N)SCSC1=C(C(=C(S1)C#N)N)C#N |
Product Overview
[(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate (CAS 845879-06-3), with molecular formula C10H7N5S4 and molecular weight 324.96 g/mol. IUPAC: [(4-amino-3,5-dicyanothiophen-2-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamide.
Chemical Property Profile of [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate
Property Insights of [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate
The XLogP value of 3.05654 indicates that [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate. Following Lipinski's Rule of Five, [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate has 1 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 [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate?
The CAS number of [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate is 845879-06-3.
What is the molecular formula of [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate?
The molecular formula of [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate is C10H7N5S4.
What is the molecular weight of [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate?
The molecular weight of [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate is 324.96 g/mol.
Where can I buy [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate?
You can request a quote for [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for [(4-amino-3,5-dicyanothiophen-2-ylthio)methyl]methyl cyanocarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.