4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide
TL;DR: 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide (CAS 25565-69-9) is a chemical compound with molecular formula C12H16ClN3S and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-methylphenyl)piperazine-1-carbothioamide
Also Known As: 4-(3-chloro-4-methylphenyl)piperazine-1-carbothioamide, 4-(3-chloro-4-methyl-phenyl)piperazine-1-carbothioamide
| Molecular Formula | C12H16ClN3S |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 2.01402 |
| Topological Polar Surface Area | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.07535 |
| Heavy Atoms | 17 |
| Complexity | 427.75897 |
Chemical Identifiers
| CAS Number | 25565-69-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCN(CC2)C(=S)N)Cl |
Product Overview
4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide (CAS 25565-69-9), with molecular formula C12H16ClN3S and molecular weight 269.08 g/mol. IUPAC: 4-(3-chloro-4-methylphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide
Property Insights of 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide
The XLogP value of 2.01402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 32.5 Ų, 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide?
The CAS number of 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide is 25565-69-9.
What is the molecular formula of 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide is C12H16ClN3S.
What is the molecular weight of 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide is 269.08 g/mol.
Where can I buy 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-(3-Chloro-4-methylphenyl)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-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-4-methylphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.