6-Phenoxy-3-pyridinyl isothiocyanate
TL;DR: 6-Phenoxy-3-pyridinyl isothiocyanate (CAS 52024-70-1) is a chemical compound with molecular formula C12H8N2OS and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-isothiocyanato-2-phenoxypyridine
Also Known As: 6-PHENOXY-3-PYRIDINYL ISOTHIOCYANATE, 5-isothiocyanato-2-phenoxypyridine, 6-phenoxy-3-pyridinylisothiocyanate, 6-phenoxypyridin-3-isothiocyanate, BUTTPARK 95\50-89
| Molecular Formula | C12H8N2OS |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 3.6082 |
| Topological Polar Surface Area | 34.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.03574 |
| Heavy Atoms | 16 |
| Complexity | 504.3018 |
Chemical Identifiers
| CAS Number | 52024-70-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=NC=C(C=C2)N=C=S |
Product Overview
6-Phenoxy-3-pyridinyl isothiocyanate (CAS 52024-70-1), with molecular formula C12H8N2OS and molecular weight 228.04 g/mol. IUPAC: 5-isothiocyanato-2-phenoxypyridine.
Chemical Property Profile of 6-Phenoxy-3-pyridinyl isothiocyanate
Property Insights of 6-Phenoxy-3-pyridinyl isothiocyanate
The XLogP value of 3.6082 indicates that 6-Phenoxy-3-pyridinyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.48 Ų, 6-Phenoxy-3-pyridinyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Phenoxy-3-pyridinyl isothiocyanate 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-Phenoxy-3-pyridinyl isothiocyanate?
The CAS number of 6-Phenoxy-3-pyridinyl isothiocyanate is 52024-70-1.
What is the molecular formula of 6-Phenoxy-3-pyridinyl isothiocyanate?
The molecular formula of 6-Phenoxy-3-pyridinyl isothiocyanate is C12H8N2OS.
What is the molecular weight of 6-Phenoxy-3-pyridinyl isothiocyanate?
The molecular weight of 6-Phenoxy-3-pyridinyl isothiocyanate is 228.04 g/mol.
Where can I buy 6-Phenoxy-3-pyridinyl isothiocyanate?
You can request a quote for 6-Phenoxy-3-pyridinyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Phenoxy-3-pyridinyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenoxy-3-pyridinyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.