![1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene structure](/static/products/2076/20761-71-1.webp)
1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene
TL;DR: 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene (CAS 20761-71-1) is a chemical compound with molecular formula C9H11ClS and molecular weight 186.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethylsulfanyl)-4-methylbenzene
Also Known As: 1-[(2-chloroethyl)thio]-4-methylbenzene, S(CCCl)c1ccc(C)cc1, 1-[(2-chloroethyl)sulfanyl]-4-methylbenzene, Benzene, 1-[(2-chloroethyl)thio]-4-methyl-, Sulfide, 2-chloroethyl-p-tolyl
| Molecular Formula | C9H11ClS |
|---|---|
| Molecular Weight | 186.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.027 |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 20761-71-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCCl |
| InChIKey | MIQDWQOHZJYLBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene (CAS 20761-71-1), with molecular formula C9H11ClS and molecular weight 186.03 g/mol. IUPAC: 1-(2-chloroethylsulfanyl)-4-methylbenzene.
Chemical Property Profile of 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene
Property Insights of 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene
The XLogP value of 3.4 indicates that 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene 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-[(2-Chloroethyl)sulfanyl]-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene 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-[(2-Chloroethyl)sulfanyl]-4-methylbenzene?
The CAS number of 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene is 20761-71-1.
What is the molecular formula of 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene?
The molecular formula of 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene is C9H11ClS.
What is the molecular weight of 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene?
The molecular weight of 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene is 186.03 g/mol.
Where can I buy 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene?
You can request a quote for 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Chloroethyl)sulfanyl]-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.