Benzene, 1-chloro-4-((chloromethyl)thio)-
TL;DR: Benzene, 1-chloro-4-((chloromethyl)thio)- (CAS 7205-90-5) is a chemical compound with molecular formula C7H6Cl2S and molecular weight 191.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(chloromethylsulfanyl)benzene
Also Known As: Chloromethyl 4-chlorophenyl sulfide, p-Chlorfenyl-chlormethylsulfid, Chloromethyl 4-chlorophenyl sulphide, p-Chlorfenylmerkaptomethylchlorid, p-Chloro-S-chloromethylbenzenethiol
| Molecular Formula | C7H6Cl2S |
|---|---|
| Molecular Weight | 191.96 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.95673 |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 7205-90-5 |
|---|---|
| SMILES | C1=CC(=CC=C1SCCl)Cl |
| InChIKey | XPJUCMIJGVAEGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-4-((chloromethyl)thio)- (CAS 7205-90-5), with molecular formula C7H6Cl2S and molecular weight 191.96 g/mol. IUPAC: 1-chloro-4-(chloromethylsulfanyl)benzene.
Chemical Property Profile of Benzene, 1-chloro-4-((chloromethyl)thio)-
Property Insights of Benzene, 1-chloro-4-((chloromethyl)thio)-
The XLogP value of 3.7 indicates that Benzene, 1-chloro-4-((chloromethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, 1-chloro-4-((chloromethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-4-((chloromethyl)thio)- 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 Benzene, 1-chloro-4-((chloromethyl)thio)-?
The CAS number of Benzene, 1-chloro-4-((chloromethyl)thio)- is 7205-90-5.
What is the molecular formula of Benzene, 1-chloro-4-((chloromethyl)thio)-?
The molecular formula of Benzene, 1-chloro-4-((chloromethyl)thio)- is C7H6Cl2S.
What is the molecular weight of Benzene, 1-chloro-4-((chloromethyl)thio)-?
The molecular weight of Benzene, 1-chloro-4-((chloromethyl)thio)- is 191.96 g/mol.
Where can I buy Benzene, 1-chloro-4-((chloromethyl)thio)-?
You can request a quote for Benzene, 1-chloro-4-((chloromethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-4-((chloromethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-4-((chloromethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.