Methyl (3-nitrophenyl) cyanocarbonimidodithioate
TL;DR: Methyl (3-nitrophenyl) cyanocarbonimidodithioate (CAS 152382-09-7) is a chemical compound with molecular formula C9H7N3O2S2 and molecular weight 252.99797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[methylsulfanyl-(3-nitrophenyl)sulfanylmethylidene]cyanamide
Also Known As: Methyl (3-nitrophenyl) cyanocarbonimidodithioate, methyl (3-nitrophenyl)cyanocarbonimidodithioate, [methylsulfanyl-(3-nitrophenyl)sulfanylmethylidene]cyanamide, Methyl 3-nitrophenyl cyanocarbonodithioimidate, Methyl(3-nitrophenyl)cyanocarbonimidodithioate
Technical Specifications
| Molecular Formula | C9H7N3O2S2 |
| Molecular Weight | 252.99797 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.99797 Da |
| Heavy Atoms | 16 |
| Complexity | 331.0 |
| SMILES | CSC(=NC#N)SC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | HVAFWEPTAQSSSG-UHFFFAOYSA-N |
Chemical Property Profile of Methyl (3-nitrophenyl) cyanocarbonimidodithioate
Property Insights of Methyl (3-nitrophenyl) cyanocarbonimidodithioate
The XLogP value of 3.3 indicates that Methyl (3-nitrophenyl) cyanocarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (3-nitrophenyl) cyanocarbonimidodithioate. Following Lipinski's Rule of Five, Methyl (3-nitrophenyl) 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
What is the CAS number of Methyl (3-nitrophenyl) cyanocarbonimidodithioate?
The CAS number of Methyl (3-nitrophenyl) cyanocarbonimidodithioate is 152382-09-7.
What is the molecular formula of Methyl (3-nitrophenyl) cyanocarbonimidodithioate?
The molecular formula of Methyl (3-nitrophenyl) cyanocarbonimidodithioate is C9H7N3O2S2.
What is the molecular weight of Methyl (3-nitrophenyl) cyanocarbonimidodithioate?
The molecular weight of Methyl (3-nitrophenyl) cyanocarbonimidodithioate is 252.99797 g/mol.
Where can I buy Methyl (3-nitrophenyl) cyanocarbonimidodithioate?
You can request a quote for Methyl (3-nitrophenyl) cyanocarbonimidodithioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl (3-nitrophenyl) cyanocarbonimidodithioate?
Yes, CoreyChem provides custom synthesis services for Methyl (3-nitrophenyl) cyanocarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.