![1-Chloro-4-[(methylthio)methyl]benzene structure](/static/products/5925/5925-82-6.webp)
1-Chloro-4-[(methylthio)methyl]benzene
TL;DR: 1-Chloro-4-[(methylthio)methyl]benzene (CAS 5925-82-6) 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-(methylsulfanylmethyl)benzene
Also Known As: 4-CHLOROBENZYL METHYL SULFIDE, 1-Chloro-4-((methylthio)methyl)benzene, p-Chlorbenzylmethylsulfid, (4-Chlorobenzyl)(methyl)sulfane, 1-chloro-4-(methylsulfanylmethyl)benzene
| Molecular Formula | C8H9ClS |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 3.3 |
| 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 | 87.0 |
Chemical Identifiers
| CAS Number | 5925-82-6 |
|---|---|
| SMILES | CSCC1=CC=C(C=C1)Cl |
| InChIKey | IXJYIAHRRUZCOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-[(methylthio)methyl]benzene (CAS 5925-82-6), with molecular formula C8H9ClS and molecular weight 172.01 g/mol. IUPAC: 1-chloro-4-(methylsulfanylmethyl)benzene.
Chemical Property Profile of 1-Chloro-4-[(methylthio)methyl]benzene
Property Insights of 1-Chloro-4-[(methylthio)methyl]benzene
The XLogP value of 3.3 indicates that 1-Chloro-4-[(methylthio)methyl]benzene 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-Chloro-4-[(methylthio)methyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-[(methylthio)methyl]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-[(methylthio)methyl]benzene?
The CAS number of 1-Chloro-4-[(methylthio)methyl]benzene is 5925-82-6.
What is the molecular formula of 1-Chloro-4-[(methylthio)methyl]benzene?
The molecular formula of 1-Chloro-4-[(methylthio)methyl]benzene is C8H9ClS.
What is the molecular weight of 1-Chloro-4-[(methylthio)methyl]benzene?
The molecular weight of 1-Chloro-4-[(methylthio)methyl]benzene is 172.01 g/mol.
Where can I buy 1-Chloro-4-[(methylthio)methyl]benzene?
You can request a quote for 1-Chloro-4-[(methylthio)methyl]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-[(methylthio)methyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-[(methylthio)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.