S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate
TL;DR: S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate (CAS 680216-39-1) is a chemical compound with molecular formula C12H5Cl2F2NOS and molecular weight 318.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate
Also Known As: S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate, (5,6-dichloropyridin-3-yl)[(2,4-difluorophenyl)sulfanyl]methanone
| Molecular Formula | C12H5Cl2F2NOS |
|---|---|
| Molecular Weight | 318.94 g/mol |
| LogP | 4.5991 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.9437 |
| Heavy Atoms | 19 |
| Complexity | 651.62164 |
Chemical Identifiers
| CAS Number | 680216-39-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)F)SC(=O)C2=CC(=C(N=C2)Cl)Cl |
Product Overview
S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate (CAS 680216-39-1), with molecular formula C12H5Cl2F2NOS and molecular weight 318.94 g/mol. IUPAC: S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate.
Chemical Property Profile of S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate
Property Insights of S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate
The XLogP value of 4.5991 indicates that S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate 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 S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate?
The CAS number of S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate is 680216-39-1.
What is the molecular formula of S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate?
The molecular formula of S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate is C12H5Cl2F2NOS.
What is the molecular weight of S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate?
The molecular weight of S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate is 318.94 g/mol.
Where can I buy S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate?
You can request a quote for S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2,4-difluorophenyl) 5,6-dichloropyridine-3-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.