3-Pyridinepropanethiol
TL;DR: 3-Pyridinepropanethiol (CAS 69603-49-2) is a chemical compound with molecular formula C8H11NS and molecular weight 153.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-3-ylpropane-1-thiol
Also Known As: 3-Pyridinepropanethiol, 3-(pyridin-3-yl)propane-1-thiol, 3-pyridin-3-ylpropane-1-thiol, 3-(3-pyridyl)propane-1-thiol, 3-(3-Pyridyl)-1-propylmercaptan
| Molecular Formula | C8H11NS |
|---|---|
| Molecular Weight | 153.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 13.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.06122 |
| Heavy Atoms | 10 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 69603-49-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)CCCS |
| InChIKey | MVLCWAAJDXMPMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinepropanethiol (CAS 69603-49-2), with molecular formula C8H11NS and molecular weight 153.06 g/mol. IUPAC: 3-pyridin-3-ylpropane-1-thiol.
Chemical Property Profile of 3-Pyridinepropanethiol
Property Insights of 3-Pyridinepropanethiol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinepropanethiol. With a topological polar surface area (TPSA) of 13.9 Ų, 3-Pyridinepropanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinepropanethiol 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-Pyridinepropanethiol?
The CAS number of 3-Pyridinepropanethiol is 69603-49-2.
What is the molecular formula of 3-Pyridinepropanethiol?
The molecular formula of 3-Pyridinepropanethiol is C8H11NS.
What is the molecular weight of 3-Pyridinepropanethiol?
The molecular weight of 3-Pyridinepropanethiol is 153.06 g/mol.
Where can I buy 3-Pyridinepropanethiol?
You can request a quote for 3-Pyridinepropanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinepropanethiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinepropanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.