3-Chlorophenyl ethyl sulfide
TL;DR: 3-Chlorophenyl ethyl sulfide (CAS 34126-15-3) is a chemical compound with molecular formula C8H9ClS and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-ethylsulfanylbenzene
Also Known As: 3-Chlorophenyl ethyl sulfide, Benzene, 1-chloro-3-(ethylthio)-, ethyl(3-chlorophenyl)sulfide, 1-chloro-3-ethylsulfanylbenzene, (3-Chlorophenyl)(ethyl)sulfane
| Molecular Formula | C8H9ClS |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.01135 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 34126-15-3 |
|---|---|
| SMILES | CCSC1=CC(=CC=C1)Cl |
| InChIKey | NJTGULJAJPHPTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorophenyl ethyl sulfide (CAS 34126-15-3), with molecular formula C8H9ClS and molecular weight 172.01 g/mol. IUPAC: 1-chloro-3-ethylsulfanylbenzene.
Chemical Property Profile of 3-Chlorophenyl ethyl sulfide
Property Insights of 3-Chlorophenyl ethyl sulfide
The XLogP value of 3.4 indicates that 3-Chlorophenyl ethyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 3-Chlorophenyl ethyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorophenyl ethyl sulfide 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 3-Chlorophenyl ethyl sulfide?
The CAS number of 3-Chlorophenyl ethyl sulfide is 34126-15-3.
What is the molecular formula of 3-Chlorophenyl ethyl sulfide?
The molecular formula of 3-Chlorophenyl ethyl sulfide is C8H9ClS.
What is the molecular weight of 3-Chlorophenyl ethyl sulfide?
The molecular weight of 3-Chlorophenyl ethyl sulfide is 172.01 g/mol.
Where can I buy 3-Chlorophenyl ethyl sulfide?
You can request a quote for 3-Chlorophenyl ethyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorophenyl ethyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorophenyl ethyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.