![S-[(Piperidin-1-yl)methyl] ethanethioate structure](/static/products/876/876-23-3.png)
S-[(Piperidin-1-yl)methyl] ethanethioate
TL;DR: S-[(Piperidin-1-yl)methyl] ethanethioate (CAS 876-23-3) 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-(piperidin-1-ylmethyl) ethanethioate
Also Known As: S-[(Piperidin-1-yl)methyl] ethanethioate, S-(piperidin-1-ylmethyl) ethanethioate
| Molecular Formula | C8H15NOS |
|---|---|
| Molecular Weight | 173.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.08743 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 876-23-3 |
|---|---|
| SMILES | CC(=O)SCN1CCCCC1 |
| InChIKey | FLEPGQHCSQWISY-UHFFFAOYSA-N |
Product Overview
S-[(Piperidin-1-yl)methyl] ethanethioate (CAS 876-23-3), with molecular formula C8H15NOS and molecular weight 173.09 g/mol. IUPAC: S-(piperidin-1-ylmethyl) ethanethioate.
Chemical Property Profile of S-[(Piperidin-1-yl)methyl] ethanethioate
Property Insights of S-[(Piperidin-1-yl)methyl] ethanethioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[(Piperidin-1-yl)methyl] ethanethioate. With a topological polar surface area (TPSA) of 45.6 Ų, S-[(Piperidin-1-yl)methyl] ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-[(Piperidin-1-yl)methyl] ethanethioate has 0 hydrogen bond donor(s) and 3 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-[(Piperidin-1-yl)methyl] ethanethioate?
The CAS number of S-[(Piperidin-1-yl)methyl] ethanethioate is 876-23-3.
What is the molecular formula of S-[(Piperidin-1-yl)methyl] ethanethioate?
The molecular formula of S-[(Piperidin-1-yl)methyl] ethanethioate is C8H15NOS.
What is the molecular weight of S-[(Piperidin-1-yl)methyl] ethanethioate?
The molecular weight of S-[(Piperidin-1-yl)methyl] ethanethioate is 173.09 g/mol.
Where can I buy S-[(Piperidin-1-yl)methyl] ethanethioate?
You can request a quote for S-[(Piperidin-1-yl)methyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[(Piperidin-1-yl)methyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[(Piperidin-1-yl)methyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.