1-Methyl-2(1H)-pyridinethione
TL;DR: 1-Methyl-2(1H)-pyridinethione (CAS 2044-27-1) 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.
1-methylpyridine-2-thione
Also Known As: N-Methyl-2-pyridinethione, 1-Methyl-2-thiopyridone, 1-methylpyridine-2-thione, 1-Methyl-2-pyridinethione, 1-methylpyridine-2(1H)-thione
| Molecular Formula | C6H7NS |
|---|---|
| Molecular Weight | 125.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.02992 |
| Heavy Atoms | 8 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 2044-27-1 |
|---|---|
| SMILES | CN1C=CC=CC1=S |
| InChIKey | UHOAUPKGWPQNDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-2(1H)-pyridinethione (CAS 2044-27-1), with molecular formula C6H7NS and molecular weight 125.03 g/mol. IUPAC: 1-methylpyridine-2-thione.
Chemical Property Profile of 1-Methyl-2(1H)-pyridinethione
Property Insights of 1-Methyl-2(1H)-pyridinethione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2(1H)-pyridinethione. With a topological polar surface area (TPSA) of 35.3 Ų, 1-Methyl-2(1H)-pyridinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2(1H)-pyridinethione has 0 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 1-Methyl-2(1H)-pyridinethione?
The CAS number of 1-Methyl-2(1H)-pyridinethione is 2044-27-1.
What is the molecular formula of 1-Methyl-2(1H)-pyridinethione?
The molecular formula of 1-Methyl-2(1H)-pyridinethione is C6H7NS.
What is the molecular weight of 1-Methyl-2(1H)-pyridinethione?
The molecular weight of 1-Methyl-2(1H)-pyridinethione is 125.03 g/mol.
Where can I buy 1-Methyl-2(1H)-pyridinethione?
You can request a quote for 1-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 1-Methyl-2(1H)-pyridinethione?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2(1H)-pyridinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.