4-(o-Tolyl)piperazine-1-carbothioamide
TL;DR: 4-(o-Tolyl)piperazine-1-carbothioamide (CAS 896520-29-9) is a chemical compound with molecular formula C12H17N3S and molecular weight 235.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylphenyl)piperazine-1-carbothioamide
Also Known As: 4-(o-Tolyl)piperazine-1-carbothioamide, 4-(2-methylphenyl)piperazine-1-carbothioamide
| Molecular Formula | C12H17N3S |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 1.36062 |
| Topological Polar Surface Area | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.11432 |
| Heavy Atoms | 16 |
| Complexity | 383.6052 |
Chemical Identifiers
| CAS Number | 896520-29-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)C(=S)N |
Product Overview
4-(o-Tolyl)piperazine-1-carbothioamide (CAS 896520-29-9), with molecular formula C12H17N3S and molecular weight 235.11 g/mol. IUPAC: 4-(2-methylphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(o-Tolyl)piperazine-1-carbothioamide
Property Insights of 4-(o-Tolyl)piperazine-1-carbothioamide
The XLogP value of 1.36062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(o-Tolyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 32.5 Ų, 4-(o-Tolyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(o-Tolyl)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-(o-Tolyl)piperazine-1-carbothioamide?
The CAS number of 4-(o-Tolyl)piperazine-1-carbothioamide is 896520-29-9.
What is the molecular formula of 4-(o-Tolyl)piperazine-1-carbothioamide?
The molecular formula of 4-(o-Tolyl)piperazine-1-carbothioamide is C12H17N3S.
What is the molecular weight of 4-(o-Tolyl)piperazine-1-carbothioamide?
The molecular weight of 4-(o-Tolyl)piperazine-1-carbothioamide is 235.11 g/mol.
Where can I buy 4-(o-Tolyl)piperazine-1-carbothioamide?
You can request a quote for 4-(o-Tolyl)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-(o-Tolyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(o-Tolyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.