2,4-Difluoro-1-isothiocyanatobenzene
TL;DR: 2,4-Difluoro-1-isothiocyanatobenzene (CAS 141106-52-7) 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.
2,4-difluoro-1-isothiocyanatobenzene
Also Known As: 2,4-Difluorophenyl isothiocyanate, 2,4-Difluoro-1-isothiocyanatobenzene, 2,4-difluorophenylisothiocyanate, Benzene, 2,4-difluoro-1-isothiocyanato-, 2,4-difluoro(isothiocyanato)benzene
| Molecular Formula | C7H3F2NS |
|---|---|
| Molecular Weight | 171.00 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.99542 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 141106-52-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)F)N=C=S |
| InChIKey | ABGGPKIFVAIRGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Difluoro-1-isothiocyanatobenzene (CAS 141106-52-7), with molecular formula C7H3F2NS and molecular weight 171.00 g/mol. IUPAC: 2,4-difluoro-1-isothiocyanatobenzene.
Chemical Property Profile of 2,4-Difluoro-1-isothiocyanatobenzene
Property Insights of 2,4-Difluoro-1-isothiocyanatobenzene
The XLogP value of 3.5 indicates that 2,4-Difluoro-1-isothiocyanatobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 2,4-Difluoro-1-isothiocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Difluoro-1-isothiocyanatobenzene 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 2,4-Difluoro-1-isothiocyanatobenzene?
The CAS number of 2,4-Difluoro-1-isothiocyanatobenzene is 141106-52-7.
What is the molecular formula of 2,4-Difluoro-1-isothiocyanatobenzene?
The molecular formula of 2,4-Difluoro-1-isothiocyanatobenzene is C7H3F2NS.
What is the molecular weight of 2,4-Difluoro-1-isothiocyanatobenzene?
The molecular weight of 2,4-Difluoro-1-isothiocyanatobenzene is 171.00 g/mol.
Where can I buy 2,4-Difluoro-1-isothiocyanatobenzene?
You can request a quote for 2,4-Difluoro-1-isothiocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Difluoro-1-isothiocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Difluoro-1-isothiocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.