Chloromethyl phenyl sulphide
TL;DR: Chloromethyl phenyl sulphide (CAS 7205-91-6) is a chemical compound with molecular formula C7H7ClS and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethylsulfanylbenzene
Also Known As: Chloromethyl phenyl sulfide, Chloromethylthiobenzene, alpha-Chlorothioanisole, chloromethylsulfanylbenzene, Chloromethyl phenyl sulphide
| Molecular Formula | C7H7ClS |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.9957 |
| Heavy Atoms | 9 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 7205-91-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCl |
| InChIKey | LLSMWLJPWFSMCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl phenyl sulphide (CAS 7205-91-6), with molecular formula C7H7ClS and molecular weight 158.00 g/mol. IUPAC: chloromethylsulfanylbenzene.
Chemical Property Profile of Chloromethyl phenyl sulphide
Property Insights of Chloromethyl phenyl sulphide
The XLogP value of 3.5 indicates that Chloromethyl phenyl sulphide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Chloromethyl phenyl sulphide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl phenyl sulphide 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 Chloromethyl phenyl sulphide?
The CAS number of Chloromethyl phenyl sulphide is 7205-91-6.
What is the molecular formula of Chloromethyl phenyl sulphide?
The molecular formula of Chloromethyl phenyl sulphide is C7H7ClS.
What is the molecular weight of Chloromethyl phenyl sulphide?
The molecular weight of Chloromethyl phenyl sulphide is 158.00 g/mol.
Where can I buy Chloromethyl phenyl sulphide?
You can request a quote for Chloromethyl phenyl sulphide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl phenyl sulphide?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl phenyl sulphide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.