4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide
TL;DR: 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide (CAS 868153-22-4) is a chemical compound with molecular formula C13H17N3OS2 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxybenzenecarbothioyl)piperazine-1-carbothioamide
Also Known As: 4-(4-methoxybenzenecarbothioyl)piperazine-1-carbothioamide, 4-(4-methoxyphenylcarbonothioyl)piperazine-1-carbothioamide, F1728-0010
| Molecular Formula | C13H17N3OS2 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 1.2319 |
| Topological Polar Surface Area | 41.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.0813 |
| Heavy Atoms | 19 |
| Complexity | 467.28162 |
Chemical Identifiers
| CAS Number | 868153-22-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=S)N2CCN(CC2)C(=S)N |
Product Overview
4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide (CAS 868153-22-4), with molecular formula C13H17N3OS2 and molecular weight 295.08 g/mol. IUPAC: 4-(4-methoxybenzenecarbothioyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide
Property Insights of 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide
The XLogP value of 1.2319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 41.73 Ų, 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 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-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide?
The CAS number of 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide is 868153-22-4.
What is the molecular formula of 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide?
The molecular formula of 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide is C13H17N3OS2.
What is the molecular weight of 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide?
The molecular weight of 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide is 295.08 g/mol.
Where can I buy 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide?
You can request a quote for 4-(4-Methoxybenzenecarbothioyl)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-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxybenzenecarbothioyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.