s-Ethyl piperidine-1-carbothioate
TL;DR: s-Ethyl piperidine-1-carbothioate (CAS 88113-73-9) is a chemical compound with molecular formula C8H15NOS and molecular weight 173.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl piperidine-1-carbothioate
Also Known As: MOLINATE, s-ethyl piperidine-1-carbothioate, NCIOpen2_000139, 1-Piperidinecarbothioic acid S-ethyl ester, J1.555.639K
| Molecular Formula | C8H15NOS |
|---|---|
| Molecular Weight | 173.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.08743 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 88113-73-9 |
|---|---|
| SMILES | CCSC(=O)N1CCCCC1 |
| InChIKey | KJZPWOULIPRXEA-UHFFFAOYSA-N |
Product Overview
s-Ethyl piperidine-1-carbothioate (CAS 88113-73-9), with molecular formula C8H15NOS and molecular weight 173.09 g/mol. IUPAC: S-ethyl piperidine-1-carbothioate.
Chemical Property Profile of s-Ethyl piperidine-1-carbothioate
Property Insights of s-Ethyl piperidine-1-carbothioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Ethyl piperidine-1-carbothioate. With a topological polar surface area (TPSA) of 45.6 Ų, s-Ethyl piperidine-1-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Ethyl 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-Ethyl piperidine-1-carbothioate?
The CAS number of s-Ethyl piperidine-1-carbothioate is 88113-73-9.
What is the molecular formula of s-Ethyl piperidine-1-carbothioate?
The molecular formula of s-Ethyl piperidine-1-carbothioate is C8H15NOS.
What is the molecular weight of s-Ethyl piperidine-1-carbothioate?
The molecular weight of s-Ethyl piperidine-1-carbothioate is 173.09 g/mol.
Where can I buy s-Ethyl piperidine-1-carbothioate?
You can request a quote for s-Ethyl 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-Ethyl piperidine-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for s-Ethyl piperidine-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.