![Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate structure](/static/products/845/845878-93-5.png)
Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate
TL;DR: Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate (CAS 845878-93-5) is a chemical compound with molecular formula C12H11N3O2S2 and molecular weight 293.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1,3-dioxo-4,7-dihydroisoindol-2-yl)methylsulfanyl-methylsulfanylmethylidene]cyanamide
Also Known As: AI-067/31569019, Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate, (1,3-Dioxo-1,3,4,7-tetrahydro-2H-isoindol-2-yl)methyl methyl cyanocarbonodithioimidate, (1,3-dioxo-1,3,4,7-tetrahydro-2H-isoindol-2-yl)methyl methyl cyanodithioimidocarbonate, [(1,3-dioxo-4,7-dihydroisoindol-2-yl)methylsulfanyl-methylsulfanylmethylidene]cyanamide
| Molecular Formula | C12H11N3O2S2 |
|---|---|
| Molecular Weight | 293.03 g/mol |
| LogP | 1.89258 |
| Topological Polar Surface Area | 73.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.02927 |
| Heavy Atoms | 19 |
| Complexity | 527.812 |
Chemical Identifiers
| CAS Number | 845878-93-5 |
|---|---|
| SMILES | CSC(=NC#N)SCN1C(=O)C2=C(C1=O)CC=CC2 |
Product Overview
Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate (CAS 845878-93-5), with molecular formula C12H11N3O2S2 and molecular weight 293.03 g/mol. IUPAC: [(1,3-dioxo-4,7-dihydroisoindol-2-yl)methylsulfanyl-methylsulfanylmethylidene]cyanamide.
Chemical Property Profile of Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate
Property Insights of Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate
The XLogP value of 1.89258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate. The TPSA of 73.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate. Following Lipinski's Rule of Five, Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate has 0 hydrogen bond donor(s) and 6 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 [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate?
The CAS number of Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate is 845878-93-5.
What is the molecular formula of Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate?
The molecular formula of Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate is C12H11N3O2S2.
What is the molecular weight of Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate?
The molecular weight of Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate is 293.03 g/mol.
Where can I buy Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate?
You can request a quote for Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)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 [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.