![1-[(3-Chloropropyl)thio]-4-fluorobenzene structure](/static/products/5322/5322-56-5.webp)
1-[(3-Chloropropyl)thio]-4-fluorobenzene
TL;DR: 1-[(3-Chloropropyl)thio]-4-fluorobenzene (CAS 5322-56-5) is a chemical compound with molecular formula C9H10ClFS and molecular weight 204.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloropropylsulfanyl)-4-fluorobenzene
Also Known As: 1-[(3-chloropropyl)thio]-4-fluorobenzene, (3-CHLOROPROPYL)(4-FLUOROPHENYL)SULFANE, KST-1B4949, 3-chloropropyl 4-fluorophenyl sulfide, 1-(3-chloropropylsulfanyl)-4-fluorobenzene
| Molecular Formula | C9H10ClFS |
|---|---|
| Molecular Weight | 204.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.01758 |
| Heavy Atoms | 12 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 5322-56-5 |
|---|---|
| SMILES | C1=CC(=CC=C1F)SCCCCl |
| InChIKey | QPOBUEZOYAQIMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(3-Chloropropyl)thio]-4-fluorobenzene (CAS 5322-56-5), with molecular formula C9H10ClFS and molecular weight 204.02 g/mol. IUPAC: 1-(3-chloropropylsulfanyl)-4-fluorobenzene.
Chemical Property Profile of 1-[(3-Chloropropyl)thio]-4-fluorobenzene
Property Insights of 1-[(3-Chloropropyl)thio]-4-fluorobenzene
The XLogP value of 3.5 indicates that 1-[(3-Chloropropyl)thio]-4-fluorobenzene 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-[(3-Chloropropyl)thio]-4-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Chloropropyl)thio]-4-fluorobenzene 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 1-[(3-Chloropropyl)thio]-4-fluorobenzene?
The CAS number of 1-[(3-Chloropropyl)thio]-4-fluorobenzene is 5322-56-5.
What is the molecular formula of 1-[(3-Chloropropyl)thio]-4-fluorobenzene?
The molecular formula of 1-[(3-Chloropropyl)thio]-4-fluorobenzene is C9H10ClFS.
What is the molecular weight of 1-[(3-Chloropropyl)thio]-4-fluorobenzene?
The molecular weight of 1-[(3-Chloropropyl)thio]-4-fluorobenzene is 204.02 g/mol.
Where can I buy 1-[(3-Chloropropyl)thio]-4-fluorobenzene?
You can request a quote for 1-[(3-Chloropropyl)thio]-4-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Chloropropyl)thio]-4-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Chloropropyl)thio]-4-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.