4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
TL;DR: 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide (CAS 525581-87-7) is a chemical compound with molecular formula C12H18N4O2S2 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
Also Known As: 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide, N-[4-(aminosulfonyl)phenyl]-4-methyl-1-piperazinecarbothioamide, 4-methyl-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide
| Molecular Formula | C12H18N4O2S2 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 0.2782 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.08713 |
| Heavy Atoms | 20 |
| Complexity | 577.9798 |
Chemical Identifiers
| CAS Number | 525581-87-7 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide (CAS 525581-87-7), with molecular formula C12H18N4O2S2 and molecular weight 314.09 g/mol. IUPAC: 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
Property Insights of 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
The XLogP value of 0.2782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide has 2 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 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide?
The CAS number of 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide is 525581-87-7.
What is the molecular formula of 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide is C12H18N4O2S2.
What is the molecular weight of 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide is 314.09 g/mol.
Where can I buy 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.