1-(Chloromethyl)-4-(phenylthio)benzene
TL;DR: 1-(Chloromethyl)-4-(phenylthio)benzene (CAS 1208-87-3) is a chemical compound with molecular formula C13H11ClS and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-4-phenylsulfanylbenzene
Also Known As: (4-(Chloromethyl)phenyl)(phenyl)sulfane, 1-(Chloromethyl)-4-(phenylthio)benzene, ECADOTRIL, 4-Phenylthio Benzyl Chloride, 4-(Phenylthio)benzyl chloride
| Molecular Formula | C13H11ClS |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.027 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 1208-87-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=C(C=C2)CCl |
| InChIKey | RLFHPRWHJYDGSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Chloromethyl)-4-(phenylthio)benzene (CAS 1208-87-3), with molecular formula C13H11ClS and molecular weight 234.03 g/mol. IUPAC: 1-(chloromethyl)-4-phenylsulfanylbenzene.
Chemical Property Profile of 1-(Chloromethyl)-4-(phenylthio)benzene
Property Insights of 1-(Chloromethyl)-4-(phenylthio)benzene
The XLogP value of 4.4 indicates that 1-(Chloromethyl)-4-(phenylthio)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-(Chloromethyl)-4-(phenylthio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethyl)-4-(phenylthio)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-(phenylthio)benzene?
The CAS number of 1-(Chloromethyl)-4-(phenylthio)benzene is 1208-87-3.
What is the molecular formula of 1-(Chloromethyl)-4-(phenylthio)benzene?
The molecular formula of 1-(Chloromethyl)-4-(phenylthio)benzene is C13H11ClS.
What is the molecular weight of 1-(Chloromethyl)-4-(phenylthio)benzene?
The molecular weight of 1-(Chloromethyl)-4-(phenylthio)benzene is 234.03 g/mol.
Where can I buy 1-(Chloromethyl)-4-(phenylthio)benzene?
You can request a quote for 1-(Chloromethyl)-4-(phenylthio)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-(phenylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethyl)-4-(phenylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.