(4-Chlorophenyl)(piperidin-1-yl)methanethione
TL;DR: (4-Chlorophenyl)(piperidin-1-yl)methanethione (CAS 3335-29-3) is a chemical compound with molecular formula C12H14ClNS and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-piperidin-1-ylmethanethione
Also Known As: p-Chlorothiobenzopiperidide, ChemDiv3_001900, p-Chlorothioxomethylbenzpiperidine, N-(p-Chlorothiobenzoyl)piperidine, 1-(4-Chlorothiobenzoyl)piperidine
| Molecular Formula | C12H14ClNS |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.05354 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 3335-29-3 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)C2=CC=C(C=C2)Cl |
| InChIKey | JFUQHBHOFBZNPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Chlorophenyl)(piperidin-1-yl)methanethione (CAS 3335-29-3), with molecular formula C12H14ClNS and molecular weight 239.05 g/mol. IUPAC: (4-chlorophenyl)-piperidin-1-ylmethanethione.
Chemical Property Profile of (4-Chlorophenyl)(piperidin-1-yl)methanethione
Property Insights of (4-Chlorophenyl)(piperidin-1-yl)methanethione
The XLogP value of 3.5 indicates that (4-Chlorophenyl)(piperidin-1-yl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, (4-Chlorophenyl)(piperidin-1-yl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)(piperidin-1-yl)methanethione 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 (4-Chlorophenyl)(piperidin-1-yl)methanethione?
The CAS number of (4-Chlorophenyl)(piperidin-1-yl)methanethione is 3335-29-3.
What is the molecular formula of (4-Chlorophenyl)(piperidin-1-yl)methanethione?
The molecular formula of (4-Chlorophenyl)(piperidin-1-yl)methanethione is C12H14ClNS.
What is the molecular weight of (4-Chlorophenyl)(piperidin-1-yl)methanethione?
The molecular weight of (4-Chlorophenyl)(piperidin-1-yl)methanethione is 239.05 g/mol.
Where can I buy (4-Chlorophenyl)(piperidin-1-yl)methanethione?
You can request a quote for (4-Chlorophenyl)(piperidin-1-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)(piperidin-1-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)(piperidin-1-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.