6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester
TL;DR: 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester (CAS 547742-07-4) is a chemical compound with molecular formula C13H7Cl2NO2S and molecular weight 310.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3,4-dichlorophenyl) 6-formylpyridine-2-carbothioate
Also Known As: J1.859.925B, 6-formylpyridine-2-carbothionic acid-S-3,4-dichlorophenyl ester, 6-(3,4-dichlorophenyl)sulfanylcarbonylpyridine-2-carbaldehyde, 6-{[(3,4-dichlorophenyl)sulfanyl]carbonyl}pyridine-2-carbaldehyde, 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester
| Molecular Formula | C13H7Cl2NO2S |
|---|---|
| Molecular Weight | 310.96 g/mol |
| LogP | 4.1334 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.95746 |
| Heavy Atoms | 19 |
| Complexity | 646.2904 |
Chemical Identifiers
| CAS Number | 547742-07-4 |
|---|---|
| SMILES | C1=CC(=NC(=C1)C(=O)SC2=CC(=C(C=C2)Cl)Cl)C=O |
Product Overview
6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester (CAS 547742-07-4), with molecular formula C13H7Cl2NO2S and molecular weight 310.96 g/mol. IUPAC: S-(3,4-dichlorophenyl) 6-formylpyridine-2-carbothioate.
Chemical Property Profile of 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester
Property Insights of 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester
The XLogP value of 4.1334 indicates that 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.03 Ų, 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester has 0 hydrogen bond donor(s) and 4 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 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester?
The CAS number of 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester is 547742-07-4.
What is the molecular formula of 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester?
The molecular formula of 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester is C13H7Cl2NO2S.
What is the molecular weight of 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester?
The molecular weight of 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester is 310.96 g/mol.
Where can I buy 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester?
You can request a quote for 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.