2-(Benzylsulfanyl)nicotinaldehyde
TL;DR: 2-(Benzylsulfanyl)nicotinaldehyde (CAS 64107-36-4) is a chemical compound with molecular formula C13H11NOS and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanylpyridine-3-carbaldehyde
Also Known As: 2-(benzylsulfanyl)nicotinaldehyde, 2-(Benzylthio)nicotinaldehyde, 2-benzylsulfanylpyridine-3-carbaldehyde, 2-(Benzylsulfanyl)pyridine-3-carbaldehyde, 2-(phenylmethylthio)pyridine-3-carbaldehyde
| Molecular Formula | C13H11NOS |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 3.1864 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.05614 |
| Heavy Atoms | 16 |
| Complexity | 470.36862 |
Chemical Identifiers
| CAS Number | 64107-36-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C=CC=N2)C=O |
Product Overview
2-(Benzylsulfanyl)nicotinaldehyde (CAS 64107-36-4), with molecular formula C13H11NOS and molecular weight 229.06 g/mol. IUPAC: 2-benzylsulfanylpyridine-3-carbaldehyde.
Chemical Property Profile of 2-(Benzylsulfanyl)nicotinaldehyde
Property Insights of 2-(Benzylsulfanyl)nicotinaldehyde
The XLogP value of 3.1864 indicates that 2-(Benzylsulfanyl)nicotinaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, 2-(Benzylsulfanyl)nicotinaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)nicotinaldehyde has 0 hydrogen bond donor(s) and 3 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 2-(Benzylsulfanyl)nicotinaldehyde?
The CAS number of 2-(Benzylsulfanyl)nicotinaldehyde is 64107-36-4.
What is the molecular formula of 2-(Benzylsulfanyl)nicotinaldehyde?
The molecular formula of 2-(Benzylsulfanyl)nicotinaldehyde is C13H11NOS.
What is the molecular weight of 2-(Benzylsulfanyl)nicotinaldehyde?
The molecular weight of 2-(Benzylsulfanyl)nicotinaldehyde is 229.06 g/mol.
Where can I buy 2-(Benzylsulfanyl)nicotinaldehyde?
You can request a quote for 2-(Benzylsulfanyl)nicotinaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)nicotinaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)nicotinaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.