N-Methyl-3-formyl-2(1H)-pyridinethione
TL;DR: N-Methyl-3-formyl-2(1H)-pyridinethione (CAS 61856-47-1) is a chemical compound with molecular formula C7H7NOS and molecular weight 153.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-sulfanylidenepyridine-3-carbaldehyde
Also Known As: N-Methyl-3-formyl-2(1H)-pyridinethione, 3-Formyl-1-methyl-2(1H)-pyridinethione, 1-methyl-2-sulfanylidenepyridine-3-carbaldehyde, 1-Methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbaldehyde, RefChem:364458
| Molecular Formula | C7H7NOS |
|---|---|
| Molecular Weight | 153.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.02484 |
| Heavy Atoms | 10 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 61856-47-1 |
|---|---|
| SMILES | CN1C=CC=C(C1=S)C=O |
| InChIKey | ZZCGVTVQKZIRBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyl-3-formyl-2(1H)-pyridinethione (CAS 61856-47-1), with molecular formula C7H7NOS and molecular weight 153.02 g/mol. IUPAC: 1-methyl-2-sulfanylidenepyridine-3-carbaldehyde.
Chemical Property Profile of N-Methyl-3-formyl-2(1H)-pyridinethione
Property Insights of N-Methyl-3-formyl-2(1H)-pyridinethione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-3-formyl-2(1H)-pyridinethione. With a topological polar surface area (TPSA) of 52.4 Ų, N-Methyl-3-formyl-2(1H)-pyridinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-3-formyl-2(1H)-pyridinethione has 0 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 N-Methyl-3-formyl-2(1H)-pyridinethione?
The CAS number of N-Methyl-3-formyl-2(1H)-pyridinethione is 61856-47-1.
What is the molecular formula of N-Methyl-3-formyl-2(1H)-pyridinethione?
The molecular formula of N-Methyl-3-formyl-2(1H)-pyridinethione is C7H7NOS.
What is the molecular weight of N-Methyl-3-formyl-2(1H)-pyridinethione?
The molecular weight of N-Methyl-3-formyl-2(1H)-pyridinethione is 153.02 g/mol.
Where can I buy N-Methyl-3-formyl-2(1H)-pyridinethione?
You can request a quote for N-Methyl-3-formyl-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 N-Methyl-3-formyl-2(1H)-pyridinethione?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-3-formyl-2(1H)-pyridinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.