1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde
TL;DR: 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde (CAS 61856-49-3) is a chemical compound with molecular formula C12H9NOS and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-sulfanylidenepyridine-3-carbaldehyde
Also Known As: 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde, EINECS 263-280-5, 1-phenyl-2-sulfanylidenepyridine-3-carbaldehyde, 1-phenyl-3-formyl-2(1H)-pyridinethione, 3-Formyl-1-phenyl-2(1H)-pyridinethione
| Molecular Formula | C12H9NOS |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 3.01929 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.04048 |
| Heavy Atoms | 15 |
| Complexity | 530.8184 |
Chemical Identifiers
| CAS Number | 61856-49-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=CC=C(C2=S)C=O |
Product Overview
1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde (CAS 61856-49-3), with molecular formula C12H9NOS and molecular weight 215.04 g/mol. IUPAC: 1-phenyl-2-sulfanylidenepyridine-3-carbaldehyde.
Chemical Property Profile of 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde
Property Insights of 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde
The XLogP value of 3.01929 indicates that 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde 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 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde?
The CAS number of 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde is 61856-49-3.
What is the molecular formula of 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde?
The molecular formula of 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde is C12H9NOS.
What is the molecular weight of 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde?
The molecular weight of 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde is 215.04 g/mol.
Where can I buy 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde?
You can request a quote for 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.