3-Pyridinemethanethiol
TL;DR: 3-Pyridinemethanethiol (CAS 17617-05-9) is a chemical compound with molecular formula C6H7NS and molecular weight 125.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-ylmethanethiol
Also Known As: 3-Pyridinemethanethiol, pyridin-3-ylmethanethiol, 3-Pyridylmethanethiol, PYRIDIN-3-YL-METHANETHIOL, 5-Mercaptomethylpyridine
| Molecular Formula | C6H7NS |
|---|---|
| Molecular Weight | 125.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 13.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.02992 |
| Heavy Atoms | 8 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 17617-05-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)CS |
| InChIKey | MBXKCLHOVPXMCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinemethanethiol (CAS 17617-05-9), with molecular formula C6H7NS and molecular weight 125.03 g/mol. IUPAC: pyridin-3-ylmethanethiol.
Chemical Property Profile of 3-Pyridinemethanethiol
Property Insights of 3-Pyridinemethanethiol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinemethanethiol. With a topological polar surface area (TPSA) of 13.9 Ų, 3-Pyridinemethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinemethanethiol 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-Pyridinemethanethiol?
The CAS number of 3-Pyridinemethanethiol is 17617-05-9.
What is the molecular formula of 3-Pyridinemethanethiol?
The molecular formula of 3-Pyridinemethanethiol is C6H7NS.
What is the molecular weight of 3-Pyridinemethanethiol?
The molecular weight of 3-Pyridinemethanethiol is 125.03 g/mol.
Where can I buy 3-Pyridinemethanethiol?
You can request a quote for 3-Pyridinemethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinemethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinemethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.