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Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate
TL;DR: Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate (CAS 109581-98-8) is a chemical compound with molecular formula C10H9N3O3S2 and molecular weight 283.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[methylsulfanyl-[(4-nitrophenoxy)methylsulfanyl]methylidene]cyanamide
Also Known As: methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate, [methylsulfanyl-[(4-nitrophenoxy)methylsulfanyl]methylidene]cyanamide, Methyl [(4-nitrophenoxy)methyl] cyanocarbonimidodithioate, methyl(4-nitrophenoxy)methyl cyanocarbonodithioimidate, Methyl ((4-nitrophenoxy)methyl) cyanocarbonimidodithioate
| Molecular Formula | C10H9N3O3S2 |
|---|---|
| Molecular Weight | 283.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.00854 |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 109581-98-8 |
|---|---|
| SMILES | CSC(=NC#N)SCOC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | LUMZBWFQXJJDLR-UHFFFAOYSA-N |
Product Overview
Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate (CAS 109581-98-8), with molecular formula C10H9N3O3S2 and molecular weight 283.01 g/mol. IUPAC: [methylsulfanyl-[(4-nitrophenoxy)methylsulfanyl]methylidene]cyanamide.
Chemical Property Profile of Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate
Property Insights of Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate
The XLogP value of 3.5 indicates that Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate has 0 hydrogen bond donor(s) and 7 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 [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate?
The CAS number of Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate is 109581-98-8.
What is the molecular formula of Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate?
The molecular formula of Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate is C10H9N3O3S2.
What is the molecular weight of Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate?
The molecular weight of Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate is 283.01 g/mol.
Where can I buy Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate?
You can request a quote for Methyl [(4-nitrophenoxy)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 [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(4-nitrophenoxy)methyl]cyanocarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.