(2-Chloroethyl)(3-fluorobenzyl)sulfane
TL;DR: (2-Chloroethyl)(3-fluorobenzyl)sulfane (CAS 85582-61-2) 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-(2-chloroethylsulfanylmethyl)-3-fluorobenzene
Also Known As: (2-chloroethyl)(3-fluorobenzyl)sulfane, 1-(2-chloroethylsulfanylmethyl)-3-fluorobenzene, 1-{[(2-CHLOROETHYL)SULFANYL]METHYL}-3-FLUOROBENZENE, C9H10ClFS
| Molecular Formula | C9H10ClFS |
|---|---|
| Molecular Weight | 204.02 g/mol |
| LogP | 3.2977 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.01758 |
| Heavy Atoms | 12 |
| Complexity | 239.72507 |
Chemical Identifiers
| CAS Number | 85582-61-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CSCCCl |
Product Overview
(2-Chloroethyl)(3-fluorobenzyl)sulfane (CAS 85582-61-2), with molecular formula C9H10ClFS and molecular weight 204.02 g/mol. IUPAC: 1-(2-chloroethylsulfanylmethyl)-3-fluorobenzene.
Chemical Property Profile of (2-Chloroethyl)(3-fluorobenzyl)sulfane
Property Insights of (2-Chloroethyl)(3-fluorobenzyl)sulfane
The XLogP value of 3.2977 indicates that (2-Chloroethyl)(3-fluorobenzyl)sulfane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (2-Chloroethyl)(3-fluorobenzyl)sulfane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloroethyl)(3-fluorobenzyl)sulfane has 0 hydrogen bond donor(s) and 1 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-Chloroethyl)(3-fluorobenzyl)sulfane?
The CAS number of (2-Chloroethyl)(3-fluorobenzyl)sulfane is 85582-61-2.
What is the molecular formula of (2-Chloroethyl)(3-fluorobenzyl)sulfane?
The molecular formula of (2-Chloroethyl)(3-fluorobenzyl)sulfane is C9H10ClFS.
What is the molecular weight of (2-Chloroethyl)(3-fluorobenzyl)sulfane?
The molecular weight of (2-Chloroethyl)(3-fluorobenzyl)sulfane is 204.02 g/mol.
Where can I buy (2-Chloroethyl)(3-fluorobenzyl)sulfane?
You can request a quote for (2-Chloroethyl)(3-fluorobenzyl)sulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloroethyl)(3-fluorobenzyl)sulfane?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloroethyl)(3-fluorobenzyl)sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.