3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one
TL;DR: 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one (CAS 956785-79-8) is a chemical compound with molecular formula C11H12ClNOS and molecular weight 241.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylamino]thiolan-2-one
Also Known As: 3-[(4-chlorophenyl)methylamino]thiolan-2-one, 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one
| Molecular Formula | C11H12ClNOS |
|---|---|
| Molecular Weight | 241.03 g/mol |
| LogP | 2.4617 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.0328 |
| Heavy Atoms | 15 |
| Complexity | 352.11047 |
Chemical Identifiers
| CAS Number | 956785-79-8 |
|---|---|
| SMILES | C1CSC(=O)C1NCC2=CC=C(C=C2)Cl |
Product Overview
3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one (CAS 956785-79-8), with molecular formula C11H12ClNOS and molecular weight 241.03 g/mol. IUPAC: 3-[(4-chlorophenyl)methylamino]thiolan-2-one.
Chemical Property Profile of 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one
Property Insights of 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one
The XLogP value of 2.4617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one has 1 hydrogen bond donor(s) and 3 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 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one?
The CAS number of 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one is 956785-79-8.
What is the molecular formula of 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one?
The molecular formula of 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one is C11H12ClNOS.
What is the molecular weight of 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one?
The molecular weight of 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one is 241.03 g/mol.
Where can I buy 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one?
You can request a quote for 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Chlorobenzyl)amino)dihydrothiophen-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.