Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)-
TL;DR: Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)- (CAS 127142-27-2) is a chemical compound with molecular formula C18H21ClN6S2 and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-3-[[(E)-(3-methyl-1-pyridin-2-ylbutylidene)amino]carbamothioylamino]thiourea
Also Known As: Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)-, 1-(2-chlorophenyl)-3-[[(E)-(3-methyl-1-pyridin-2-ylbutylidene)amino]carbamothioylamino]thiourea, 1-(2-chlorophenyl)-3-[[(E)-[3-methyl-1-(2-pyridyl)butylidene]amino]carbamothioylamino]thiourea, 1-[2-Chlorophenylamino(thiocarbonyl)]-5-[3-methyl-1-(2-pyridinyl)butylidene]thiocarbonohydrazide, 3-{[(2-chlorophenyl)carbamothioyl]amino}-1-{[3-methyl-1-(pyridin-2-yl)butylidene]amino}thiourea
| Molecular Formula | C18H21ClN6S2 |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 3.8509 |
| Topological Polar Surface Area | 73.37 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.09576 |
| Heavy Atoms | 27 |
| Complexity | 810.509 |
Chemical Identifiers
| CAS Number | 127142-27-2 |
|---|---|
| SMILES | CC(C)C/C(=N\NC(=S)NNC(=S)NC1=CC=CC=C1Cl)/C2=CC=CC=N2 |
Product Overview
Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)- (CAS 127142-27-2), with molecular formula C18H21ClN6S2 and molecular weight 420.10 g/mol. IUPAC: 1-(2-chlorophenyl)-3-[[(E)-(3-methyl-1-pyridin-2-ylbutylidene)amino]carbamothioylamino]thiourea.
Chemical Property Profile of Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)-
Property Insights of Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)-
The XLogP value of 3.8509 indicates that Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)-. Following Lipinski's Rule of Five, Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)- has 4 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 Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)-?
The CAS number of Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)- is 127142-27-2.
What is the molecular formula of Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)-?
The molecular formula of Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)- is C18H21ClN6S2.
What is the molecular weight of Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)-?
The molecular weight of Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)- is 420.10 g/mol.
Where can I buy Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)-?
You can request a quote for Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)thioxomethyl)-N'''-((1E)-3-methyl-1-(2-pyridinyl)butylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.