N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide
TL;DR: N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide (CAS 431914-79-3) is a chemical compound with molecular formula C12H18N4S and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide
Also Known As: N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide, N-ethyl-4-(pyridin-2-yl)piperazine-1-carbothioamide, AB00116081-01, N-ethyl-4-(2-pyridinyl)-1-piperazinecarbothioamide
| Molecular Formula | C12H18N4S |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 1.098 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.12521 |
| Heavy Atoms | 17 |
| Complexity | 360.0282 |
Chemical Identifiers
| CAS Number | 431914-79-3 |
|---|---|
| SMILES | CCNC(=S)N1CCN(CC1)C2=CC=CC=N2 |
Product Overview
N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide (CAS 431914-79-3), with molecular formula C12H18N4S and molecular weight 250.13 g/mol. IUPAC: N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide
Property Insights of N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide
The XLogP value of 1.098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 31.4 Ų, N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-4-pyridin-2-ylpiperazine-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 N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide?
The CAS number of N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide is 431914-79-3.
What is the molecular formula of N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide?
The molecular formula of N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide is C12H18N4S.
What is the molecular weight of N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide?
The molecular weight of N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide is 250.13 g/mol.
Where can I buy N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide?
You can request a quote for N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-pyridin-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.