![1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene structure](/static/products/7022/70227-29-1.webp)
1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene
TL;DR: 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene (CAS 70227-29-1) is a chemical compound with molecular formula C14H12F2S and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene
Also Known As: m-Nitro-pcp, 3-Nitrophencyclidine, Bis(4-fluorobenzyl) sulfide, KST-1B7826, 1,1'-(sulfanediyldimethanediyl)bis(4-fluorobenzene)
| Molecular Formula | C14H12F2S |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.06277 |
| Heavy Atoms | 17 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 70227-29-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CSCC2=CC=C(C=C2)F)F |
| InChIKey | YYMBJIMAVVGTAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene (CAS 70227-29-1), with molecular formula C14H12F2S and molecular weight 250.06 g/mol. IUPAC: 1-fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene.
Chemical Property Profile of 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene
Property Insights of 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene
The XLogP value of 4.1 indicates that 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene 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 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene?
The CAS number of 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene is 70227-29-1.
What is the molecular formula of 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene?
The molecular formula of 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene is C14H12F2S.
What is the molecular weight of 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene?
The molecular weight of 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene is 250.06 g/mol.
Where can I buy 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene?
You can request a quote for 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.