1-Chloro-4-(ethylthio)benzene
TL;DR: 1-Chloro-4-(ethylthio)benzene (CAS 5120-72-9) 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-4-ethylsulfanylbenzene
Also Known As: 1-CHLORO-4-(ETHYLTHIO)BENZENE, 1-chloro-4-ethylsulfanylbenzene, 4-Chlorophenyl ethyl sulfide, Ethyl p-chlorophenyl sulfide, p-Chlorophenylethyl sulfide
| Molecular Formula | C8H9ClS |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 3.452 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.01135 |
| Heavy Atoms | 10 |
| Complexity | 192.9175 |
Chemical Identifiers
| CAS Number | 5120-72-9 |
|---|---|
| SMILES | CCSC1=CC=C(C=C1)Cl |
Product Overview
1-Chloro-4-(ethylthio)benzene (CAS 5120-72-9), with molecular formula C8H9ClS and molecular weight 172.01 g/mol. IUPAC: 1-chloro-4-ethylsulfanylbenzene.
Chemical Property Profile of 1-Chloro-4-(ethylthio)benzene
Property Insights of 1-Chloro-4-(ethylthio)benzene
The XLogP value of 3.452 indicates that 1-Chloro-4-(ethylthio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-4-(ethylthio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(ethylthio)benzene 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 1-Chloro-4-(ethylthio)benzene?
The CAS number of 1-Chloro-4-(ethylthio)benzene is 5120-72-9.
What is the molecular formula of 1-Chloro-4-(ethylthio)benzene?
The molecular formula of 1-Chloro-4-(ethylthio)benzene is C8H9ClS.
What is the molecular weight of 1-Chloro-4-(ethylthio)benzene?
The molecular weight of 1-Chloro-4-(ethylthio)benzene is 172.01 g/mol.
Where can I buy 1-Chloro-4-(ethylthio)benzene?
You can request a quote for 1-Chloro-4-(ethylthio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(ethylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(ethylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.