1-(4-Bromobenzothioyl)piperidine
TL;DR: 1-(4-Bromobenzothioyl)piperidine (CAS 72116-31-5) is a chemical compound with molecular formula C12H14BrNS and molecular weight 283.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)-piperidin-1-ylmethanethione
Also Known As: 1-(4-bromobenzothioyl)piperidine, (4-Bromophenyl)-1-piperidinylmethanethione, (4-Bromophenyl)piperidinomethanethione, (4-bromophenyl)-piperidin-1-ylmethanethione, (4-bromophenyl)piperidylmethane-1-thione
| Molecular Formula | C12H14BrNS |
|---|---|
| Molecular Weight | 283.00 g/mol |
| LogP | 3.6105 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.00302 |
| Heavy Atoms | 15 |
| Complexity | 341.14468 |
Chemical Identifiers
| CAS Number | 72116-31-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)C2=CC=C(C=C2)Br |
Product Overview
1-(4-Bromobenzothioyl)piperidine (CAS 72116-31-5), with molecular formula C12H14BrNS and molecular weight 283.00 g/mol. IUPAC: (4-bromophenyl)-piperidin-1-ylmethanethione.
Chemical Property Profile of 1-(4-Bromobenzothioyl)piperidine
Property Insights of 1-(4-Bromobenzothioyl)piperidine
The XLogP value of 3.6105 indicates that 1-(4-Bromobenzothioyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 1-(4-Bromobenzothioyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromobenzothioyl)piperidine has 0 hydrogen bond donor(s) and 1 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-Bromobenzothioyl)piperidine?
The CAS number of 1-(4-Bromobenzothioyl)piperidine is 72116-31-5.
What is the molecular formula of 1-(4-Bromobenzothioyl)piperidine?
The molecular formula of 1-(4-Bromobenzothioyl)piperidine is C12H14BrNS.
What is the molecular weight of 1-(4-Bromobenzothioyl)piperidine?
The molecular weight of 1-(4-Bromobenzothioyl)piperidine is 283.00 g/mol.
Where can I buy 1-(4-Bromobenzothioyl)piperidine?
You can request a quote for 1-(4-Bromobenzothioyl)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-Bromobenzothioyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromobenzothioyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.