1-(4-Fluorobenzothioyl)piperidine
TL;DR: 1-(4-Fluorobenzothioyl)piperidine (CAS 58547-54-9) is a chemical compound with molecular formula C12H14FNS and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-piperidin-1-ylmethanethione
Also Known As: 1-(4-fluorobenzothioyl)piperidine, (4-Fluorophenyl)-1-piperidinylmethanethione, 1-(4-fluoro-thiobenzoyl)-piperidine, (4-fluorophenyl)-piperidin-1-ylmethanethione, (4-fluorophenyl)piperidylmethane-1-thione
| Molecular Formula | C12H14FNS |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.0831 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 58547-54-9 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)C2=CC=C(C=C2)F |
| InChIKey | BDBDQJZSRYVROK-UHFFFAOYSA-N |
Product Overview
1-(4-Fluorobenzothioyl)piperidine (CAS 58547-54-9), with molecular formula C12H14FNS and molecular weight 223.08 g/mol. IUPAC: (4-fluorophenyl)-piperidin-1-ylmethanethione.
Chemical Property Profile of 1-(4-Fluorobenzothioyl)piperidine
Property Insights of 1-(4-Fluorobenzothioyl)piperidine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorobenzothioyl)piperidine. With a topological polar surface area (TPSA) of 35.3 Ų, 1-(4-Fluorobenzothioyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorobenzothioyl)piperidine has 0 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 1-(4-Fluorobenzothioyl)piperidine?
The CAS number of 1-(4-Fluorobenzothioyl)piperidine is 58547-54-9.
What is the molecular formula of 1-(4-Fluorobenzothioyl)piperidine?
The molecular formula of 1-(4-Fluorobenzothioyl)piperidine is C12H14FNS.
What is the molecular weight of 1-(4-Fluorobenzothioyl)piperidine?
The molecular weight of 1-(4-Fluorobenzothioyl)piperidine is 223.08 g/mol.
Where can I buy 1-(4-Fluorobenzothioyl)piperidine?
You can request a quote for 1-(4-Fluorobenzothioyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorobenzothioyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorobenzothioyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.