Methyl prop-2-ynyl cyanocarbonimidodithioate
TL;DR: Methyl prop-2-ynyl cyanocarbonimidodithioate (CAS 52173-99-6) is a chemical compound with molecular formula C6H6N2S2 and molecular weight 170.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[methylsulfanyl(prop-2-ynylsulfanyl)methylidene]cyanamide
Also Known As: Methyl prop-2-ynyl cyanocarbonimidodithioate, [methylsulfanyl(prop-2-ynylsulfanyl)methylidene]cyanamide, METHYLPROP-2-YNYLCYANOCARBONIMIDODITHIOATE, Methyl prop-2-yn-1-yl cyanocarbonodithioimidate, (E)-CYANO[(METHYLSULFANYL)(PROP-2-YN-1-YLSULFANYL)METHYLIDENE]AMINE
| Molecular Formula | C6H6N2S2 |
|---|---|
| Molecular Weight | 170.00 g/mol |
| LogP | 1.55288 |
| Topological Polar Surface Area | 36.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.99724 |
| Heavy Atoms | 10 |
| Complexity | 196.7738 |
Chemical Identifiers
| CAS Number | 52173-99-6 |
|---|---|
| SMILES | CSC(=NC#N)SCC#C |
Product Overview
Methyl prop-2-ynyl cyanocarbonimidodithioate (CAS 52173-99-6), with molecular formula C6H6N2S2 and molecular weight 170.00 g/mol. IUPAC: [methylsulfanyl(prop-2-ynylsulfanyl)methylidene]cyanamide.
Chemical Property Profile of Methyl prop-2-ynyl cyanocarbonimidodithioate
Property Insights of Methyl prop-2-ynyl cyanocarbonimidodithioate
The XLogP value of 1.55288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl prop-2-ynyl cyanocarbonimidodithioate. With a topological polar surface area (TPSA) of 36.15 Ų, Methyl prop-2-ynyl cyanocarbonimidodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl prop-2-ynyl cyanocarbonimidodithioate has 0 hydrogen bond donor(s) and 4 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 prop-2-ynyl cyanocarbonimidodithioate?
The CAS number of Methyl prop-2-ynyl cyanocarbonimidodithioate is 52173-99-6.
What is the molecular formula of Methyl prop-2-ynyl cyanocarbonimidodithioate?
The molecular formula of Methyl prop-2-ynyl cyanocarbonimidodithioate is C6H6N2S2.
What is the molecular weight of Methyl prop-2-ynyl cyanocarbonimidodithioate?
The molecular weight of Methyl prop-2-ynyl cyanocarbonimidodithioate is 170.00 g/mol.
Where can I buy Methyl prop-2-ynyl cyanocarbonimidodithioate?
You can request a quote for Methyl prop-2-ynyl cyanocarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl prop-2-ynyl cyanocarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl prop-2-ynyl cyanocarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.