3-(N-Piperidinyl)propanethiol
TL;DR: 3-(N-Piperidinyl)propanethiol (CAS 4667-59-8) is a chemical compound with molecular formula C8H17NS and molecular weight 159.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-piperidin-1-ylpropane-1-thiol
Also Known As: NCIOpen2_001917, 3-(N-Piperidinyl)propanethiol, 3-piperidin-1-yl-propane-1-thiol, 3-(piperidin-1-yl)propane-1-thiol, 3-piperidin-1-ylpropane-1-thiol
| Molecular Formula | C8H17NS |
|---|---|
| Molecular Weight | 159.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 4.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.10817 |
| Heavy Atoms | 10 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 4667-59-8 |
|---|---|
| SMILES | C1CCN(CC1)CCCS |
| InChIKey | KRTGGWTUBIWIHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(N-Piperidinyl)propanethiol (CAS 4667-59-8), with molecular formula C8H17NS and molecular weight 159.11 g/mol. IUPAC: 3-piperidin-1-ylpropane-1-thiol.
Chemical Property Profile of 3-(N-Piperidinyl)propanethiol
Property Insights of 3-(N-Piperidinyl)propanethiol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(N-Piperidinyl)propanethiol. With a topological polar surface area (TPSA) of 4.2 Ų, 3-(N-Piperidinyl)propanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(N-Piperidinyl)propanethiol has 1 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 3-(N-Piperidinyl)propanethiol?
The CAS number of 3-(N-Piperidinyl)propanethiol is 4667-59-8.
What is the molecular formula of 3-(N-Piperidinyl)propanethiol?
The molecular formula of 3-(N-Piperidinyl)propanethiol is C8H17NS.
What is the molecular weight of 3-(N-Piperidinyl)propanethiol?
The molecular weight of 3-(N-Piperidinyl)propanethiol is 159.11 g/mol.
Where can I buy 3-(N-Piperidinyl)propanethiol?
You can request a quote for 3-(N-Piperidinyl)propanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N-Piperidinyl)propanethiol?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-Piperidinyl)propanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.