2,3,5,6-Tetrafluorophenyl isothiocyanate
TL;DR: 2,3,5,6-Tetrafluorophenyl isothiocyanate (CAS 20925-55-7) is a chemical compound with molecular formula C7HF4NS and molecular weight 206.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-tetrafluoro-3-isothiocyanatobenzene
Also Known As: 2,3,5,6-Tetrafluorophenyl isothiocyanate, 1,2,4,5-Tetrafluoro-3-isothiocyanatobenzene, RARECHEM BK HW 0120, 6-Chlor-2-methylamino-benzonitril, 2,3,5,6-tetrafluorophenylisothiocyanate
| Molecular Formula | C7HF4NS |
|---|---|
| Molecular Weight | 206.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.97658 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 20925-55-7 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1F)F)N=C=S)F)F |
| InChIKey | QUNNLKBODYSOQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,5,6-Tetrafluorophenyl isothiocyanate (CAS 20925-55-7), with molecular formula C7HF4NS and molecular weight 206.98 g/mol. IUPAC: 1,2,4,5-tetrafluoro-3-isothiocyanatobenzene.
Chemical Property Profile of 2,3,5,6-Tetrafluorophenyl isothiocyanate
Property Insights of 2,3,5,6-Tetrafluorophenyl isothiocyanate
The XLogP value of 3.8 indicates that 2,3,5,6-Tetrafluorophenyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 2,3,5,6-Tetrafluorophenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetrafluorophenyl isothiocyanate has 0 hydrogen bond donor(s) and 6 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 2,3,5,6-Tetrafluorophenyl isothiocyanate?
The CAS number of 2,3,5,6-Tetrafluorophenyl isothiocyanate is 20925-55-7.
What is the molecular formula of 2,3,5,6-Tetrafluorophenyl isothiocyanate?
The molecular formula of 2,3,5,6-Tetrafluorophenyl isothiocyanate is C7HF4NS.
What is the molecular weight of 2,3,5,6-Tetrafluorophenyl isothiocyanate?
The molecular weight of 2,3,5,6-Tetrafluorophenyl isothiocyanate is 206.98 g/mol.
Where can I buy 2,3,5,6-Tetrafluorophenyl isothiocyanate?
You can request a quote for 2,3,5,6-Tetrafluorophenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrafluorophenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrafluorophenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.