N-Isopropyl-3-formyl-2(1H)-pyridinethione
TL;DR: N-Isopropyl-3-formyl-2(1H)-pyridinethione (CAS 63254-06-8) is a chemical compound with molecular formula C9H11NOS and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yl-2-sulfanylidenepyridine-3-carbaldehyde
Also Known As: N-Isopropyl-3-formyl-2(1H)-pyridinethione, 1-isopropyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde, 1-propan-2-yl-2-sulfanylidenepyridine-3-carbaldehyde, 3-Formyl-1-isopropyl-2(1H)-pyridinethione, 1-(propan-2-yl)-2-sulfanylidene-1,2-dihydropyridine-3-carbaldehyde
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.05614 |
| Heavy Atoms | 12 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 63254-06-8 |
|---|---|
| SMILES | CC(C)N1C=CC=C(C1=S)C=O |
| InChIKey | LNYFKUYQBQFYKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Isopropyl-3-formyl-2(1H)-pyridinethione (CAS 63254-06-8), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: 1-propan-2-yl-2-sulfanylidenepyridine-3-carbaldehyde.
Chemical Property Profile of N-Isopropyl-3-formyl-2(1H)-pyridinethione
Property Insights of N-Isopropyl-3-formyl-2(1H)-pyridinethione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropyl-3-formyl-2(1H)-pyridinethione. With a topological polar surface area (TPSA) of 52.4 Ų, N-Isopropyl-3-formyl-2(1H)-pyridinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isopropyl-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-Isopropyl-3-formyl-2(1H)-pyridinethione?
The CAS number of N-Isopropyl-3-formyl-2(1H)-pyridinethione is 63254-06-8.
What is the molecular formula of N-Isopropyl-3-formyl-2(1H)-pyridinethione?
The molecular formula of N-Isopropyl-3-formyl-2(1H)-pyridinethione is C9H11NOS.
What is the molecular weight of N-Isopropyl-3-formyl-2(1H)-pyridinethione?
The molecular weight of N-Isopropyl-3-formyl-2(1H)-pyridinethione is 181.06 g/mol.
Where can I buy N-Isopropyl-3-formyl-2(1H)-pyridinethione?
You can request a quote for N-Isopropyl-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-Isopropyl-3-formyl-2(1H)-pyridinethione?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropyl-3-formyl-2(1H)-pyridinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.