3-Methyl-2(1H)-pyridinethione
TL;DR: 3-Methyl-2(1H)-pyridinethione (CAS 18368-66-6) 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.
3-methyl-1H-pyridine-2-thione
Also Known As: 3-Methylpyridine-2(1H)-thione, 3-methylpyridine-2-thiol, 3-methyl-1H-pyridine-2-thione, 3-Methyl-2(1H)-pyridinethione, 3-Methyl-2-pyridthione
| Molecular Formula | C6H7NS |
|---|---|
| Molecular Weight | 125.03 g/mol |
| LogP | 2.05261 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.02992 |
| Heavy Atoms | 8 |
| Complexity | 225.97018 |
Chemical Identifiers
| CAS Number | 18368-66-6 |
|---|---|
| SMILES | CC1=CC=CNC1=S |
Product Overview
3-Methyl-2(1H)-pyridinethione (CAS 18368-66-6), with molecular formula C6H7NS and molecular weight 125.03 g/mol. IUPAC: 3-methyl-1H-pyridine-2-thione.
Chemical Property Profile of 3-Methyl-2(1H)-pyridinethione
Property Insights of 3-Methyl-2(1H)-pyridinethione
The XLogP value of 2.05261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2(1H)-pyridinethione. With a topological polar surface area (TPSA) of 15.79 Ų, 3-Methyl-2(1H)-pyridinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2(1H)-pyridinethione has 1 hydrogen bond donor(s) and 1 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-Methyl-2(1H)-pyridinethione?
The CAS number of 3-Methyl-2(1H)-pyridinethione is 18368-66-6.
What is the molecular formula of 3-Methyl-2(1H)-pyridinethione?
The molecular formula of 3-Methyl-2(1H)-pyridinethione is C6H7NS.
What is the molecular weight of 3-Methyl-2(1H)-pyridinethione?
The molecular weight of 3-Methyl-2(1H)-pyridinethione is 125.03 g/mol.
Where can I buy 3-Methyl-2(1H)-pyridinethione?
You can request a quote for 3-Methyl-2(1H)-pyridinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2(1H)-pyridinethione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2(1H)-pyridinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.