S-phenyl piperidine-1-carbothioate
TL;DR: S-phenyl piperidine-1-carbothioate (CAS 51909-15-0) is a chemical compound with molecular formula C12H15NOS and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl piperidine-1-carbothioate
Also Known As: S-phenyl piperidine-1-carbothioate, Phenylsulfanyl-(1-piperidyl)methanone, 1-Piperidinecarbothioic acid, S-phenyl ester, (phenylsulfanyl)(piperidin-1-yl)methanone, J2.170.445H
| Molecular Formula | C12H15NOS |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.08743 |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 51909-15-0 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)SC2=CC=CC=C2 |
| InChIKey | OPBMWVCBDUTGIX-UHFFFAOYSA-N |
Product Overview
S-phenyl piperidine-1-carbothioate (CAS 51909-15-0), with molecular formula C12H15NOS and molecular weight 221.09 g/mol. IUPAC: S-phenyl piperidine-1-carbothioate.
Chemical Property Profile of S-phenyl piperidine-1-carbothioate
Property Insights of S-phenyl piperidine-1-carbothioate
The XLogP value of 3.1 indicates that S-phenyl piperidine-1-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-phenyl piperidine-1-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl piperidine-1-carbothioate 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 S-phenyl piperidine-1-carbothioate?
The CAS number of S-phenyl piperidine-1-carbothioate is 51909-15-0.
What is the molecular formula of S-phenyl piperidine-1-carbothioate?
The molecular formula of S-phenyl piperidine-1-carbothioate is C12H15NOS.
What is the molecular weight of S-phenyl piperidine-1-carbothioate?
The molecular weight of S-phenyl piperidine-1-carbothioate is 221.09 g/mol.
Where can I buy S-phenyl piperidine-1-carbothioate?
You can request a quote for S-phenyl piperidine-1-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl piperidine-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl piperidine-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.