2,6-Difluorophenyl isothiocyanate
TL;DR: 2,6-Difluorophenyl isothiocyanate (CAS 65295-69-4) is a chemical compound with molecular formula C7H3F2NS and molecular weight 171.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-difluoro-2-isothiocyanatobenzene
Also Known As: 2,6-Difluorophenyl isothiocyanate, 2,6-difluorophenylisothiocyanate, 1,3-difluoro-2-isothiocyanatobenzene, Benzene, 1,3-difluoro-2-isothiocyanato-, 2,6-Difluorophenyl isocyanate
| Molecular Formula | C7H3F2NS |
|---|---|
| Molecular Weight | 171.00 g/mol |
| LogP | 2.6991 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.99542 |
| Heavy Atoms | 11 |
| Complexity | 297.96664 |
Chemical Identifiers
| CAS Number | 65295-69-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)N=C=S)F |
Product Overview
2,6-Difluorophenyl isothiocyanate (CAS 65295-69-4), with molecular formula C7H3F2NS and molecular weight 171.00 g/mol. IUPAC: 1,3-difluoro-2-isothiocyanatobenzene.
Chemical Property Profile of 2,6-Difluorophenyl isothiocyanate
Property Insights of 2,6-Difluorophenyl isothiocyanate
The XLogP value of 2.6991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Difluorophenyl isothiocyanate. With a topological polar surface area (TPSA) of 12.36 Ų, 2,6-Difluorophenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Difluorophenyl isothiocyanate 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 2,6-Difluorophenyl isothiocyanate?
The CAS number of 2,6-Difluorophenyl isothiocyanate is 65295-69-4.
What is the molecular formula of 2,6-Difluorophenyl isothiocyanate?
The molecular formula of 2,6-Difluorophenyl isothiocyanate is C7H3F2NS.
What is the molecular weight of 2,6-Difluorophenyl isothiocyanate?
The molecular weight of 2,6-Difluorophenyl isothiocyanate is 171.00 g/mol.
Where can I buy 2,6-Difluorophenyl isothiocyanate?
You can request a quote for 2,6-Difluorophenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Difluorophenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Difluorophenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.