![[4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione structure](/static/products/6945/694516-91-1.webp)
[4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione
TL;DR: [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione (CAS 694516-91-1) is a chemical compound with molecular formula C17H16FN3O2S and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione
Also Known As: [4-(2-fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione|1-(2-fluorophenyl)-4-(3-nitrobenzenecarbothioyl)piperazine|(4-(2-fluorophenyl)piperazin-1-yl)(3-nitrophenyl)methanethione|[4-(2-fluorophenyl)piperazin-1-yl](3-nitrophenyl)methanethione|1-(2-fluorophenyl)-4-[(3-nitrophenyl)carbonothioyl]piperazine|MLS000672186|SMR000293373
| Molecular Formula | C17H16FN3O2S |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | 3.2316 |
| Topological Polar Surface Area | 49.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.09473 |
| Heavy Atoms | 24 |
| Complexity | 775.9359 |
Chemical Identifiers
| CAS Number | 694516-91-1 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2F)C(=S)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
[4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione (CAS 694516-91-1), with molecular formula C17H16FN3O2S and molecular weight 345.09 g/mol. IUPAC: [4-(2-fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione.
Chemical Property Profile of [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione
Property Insights of [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione
The XLogP value of 3.2316 indicates that [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.62 Ų, [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione has 0 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-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione?
The CAS number of [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione is 694516-91-1.
What is the molecular formula of [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione?
The molecular formula of [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione is C17H16FN3O2S.
What is the molecular weight of [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione?
The molecular weight of [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione is 345.09 g/mol.
Where can I buy [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione?
You can request a quote for [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for [4-(2-Fluorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.