1-(Chloromethyl)-4-(methylthio)benzene
TL;DR: 1-(Chloromethyl)-4-(methylthio)benzene (CAS 874-87-3) 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-(chloromethyl)-4-methylsulfanylbenzene
Also Known As: 4-(Methylthio)benzyl chloride, 4-(Methylthio)BenzylChloride, 4-Chloromethyl, 4- benzylchloride, 3-Fluorobenzylamine
| Molecular Formula | C8H9ClS |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 2.8 |
| 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 | 874-87-3 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CCl |
| InChIKey | VWVZFHRDLPHBEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Chloromethyl)-4-(methylthio)benzene (CAS 874-87-3), with molecular formula C8H9ClS and molecular weight 172.01 g/mol. IUPAC: 1-(chloromethyl)-4-methylsulfanylbenzene.
Chemical Property Profile of 1-(Chloromethyl)-4-(methylthio)benzene
Property Insights of 1-(Chloromethyl)-4-(methylthio)benzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Chloromethyl)-4-(methylthio)benzene. With a topological polar surface area (TPSA) of 25.3 Ų, 1-(Chloromethyl)-4-(methylthio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethyl)-4-(methylthio)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-(Chloromethyl)-4-(methylthio)benzene?
The CAS number of 1-(Chloromethyl)-4-(methylthio)benzene is 874-87-3.
What is the molecular formula of 1-(Chloromethyl)-4-(methylthio)benzene?
The molecular formula of 1-(Chloromethyl)-4-(methylthio)benzene is C8H9ClS.
What is the molecular weight of 1-(Chloromethyl)-4-(methylthio)benzene?
The molecular weight of 1-(Chloromethyl)-4-(methylthio)benzene is 172.01 g/mol.
Where can I buy 1-(Chloromethyl)-4-(methylthio)benzene?
You can request a quote for 1-(Chloromethyl)-4-(methylthio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloromethyl)-4-(methylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethyl)-4-(methylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.