4-(3,4-Dichlorobenzyl)thiomorpholine
TL;DR: 4-(3,4-Dichlorobenzyl)thiomorpholine (CAS 414883-72-0) is a chemical compound with molecular formula C11H13Cl2NS and molecular weight 261.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
Also Known As: 4-(3,4-dichlorobenzyl)thiomorpholine, 4-[(3,4-dichlorophenyl)methyl]thiomorpholine, Cambridge id 5264987
| Molecular Formula | C11H13Cl2NS |
|---|---|
| Molecular Weight | 261.01 g/mol |
| LogP | 3.5422 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0146 |
| Heavy Atoms | 15 |
| Complexity | 337.35986 |
Chemical Identifiers
| CAS Number | 414883-72-0 |
|---|---|
| SMILES | C1CSCCN1CC2=CC(=C(C=C2)Cl)Cl |
Product Overview
4-(3,4-Dichlorobenzyl)thiomorpholine (CAS 414883-72-0), with molecular formula C11H13Cl2NS and molecular weight 261.01 g/mol. IUPAC: 4-[(3,4-dichlorophenyl)methyl]thiomorpholine.
Chemical Property Profile of 4-(3,4-Dichlorobenzyl)thiomorpholine
Property Insights of 4-(3,4-Dichlorobenzyl)thiomorpholine
The XLogP value of 3.5422 indicates that 4-(3,4-Dichlorobenzyl)thiomorpholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 4-(3,4-Dichlorobenzyl)thiomorpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Dichlorobenzyl)thiomorpholine has 0 hydrogen bond donor(s) and 2 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 4-(3,4-Dichlorobenzyl)thiomorpholine?
The CAS number of 4-(3,4-Dichlorobenzyl)thiomorpholine is 414883-72-0.
What is the molecular formula of 4-(3,4-Dichlorobenzyl)thiomorpholine?
The molecular formula of 4-(3,4-Dichlorobenzyl)thiomorpholine is C11H13Cl2NS.
What is the molecular weight of 4-(3,4-Dichlorobenzyl)thiomorpholine?
The molecular weight of 4-(3,4-Dichlorobenzyl)thiomorpholine is 261.01 g/mol.
Where can I buy 4-(3,4-Dichlorobenzyl)thiomorpholine?
You can request a quote for 4-(3,4-Dichlorobenzyl)thiomorpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dichlorobenzyl)thiomorpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dichlorobenzyl)thiomorpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.