3-((3,4-dichlorobenzyl)thio)-1H-indole
TL;DR: 3-((3,4-dichlorobenzyl)thio)-1H-indole (CAS 681217-89-0) is a chemical compound with molecular formula C15H11Cl2NS and molecular weight 307.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-indole
Also Known As: 3-((3,4-dichlorobenzyl)thio)-1H-indole, 3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-indole, 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1H-indole, F0545-1613
| Molecular Formula | C15H11Cl2NS |
|---|---|
| Molecular Weight | 307.00 g/mol |
| LogP | 5.767 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.99893 |
| Heavy Atoms | 19 |
| Complexity | 720.9924 |
Chemical Identifiers
| CAS Number | 681217-89-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)SCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
3-((3,4-dichlorobenzyl)thio)-1H-indole (CAS 681217-89-0), with molecular formula C15H11Cl2NS and molecular weight 307.00 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-indole.
Chemical Property Profile of 3-((3,4-dichlorobenzyl)thio)-1H-indole
Property Insights of 3-((3,4-dichlorobenzyl)thio)-1H-indole
The XLogP value of 5.767 indicates that 3-((3,4-dichlorobenzyl)thio)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 3-((3,4-dichlorobenzyl)thio)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((3,4-dichlorobenzyl)thio)-1H-indole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((3,4-dichlorobenzyl)thio)-1H-indole?
The CAS number of 3-((3,4-dichlorobenzyl)thio)-1H-indole is 681217-89-0.
What is the molecular formula of 3-((3,4-dichlorobenzyl)thio)-1H-indole?
The molecular formula of 3-((3,4-dichlorobenzyl)thio)-1H-indole is C15H11Cl2NS.
What is the molecular weight of 3-((3,4-dichlorobenzyl)thio)-1H-indole?
The molecular weight of 3-((3,4-dichlorobenzyl)thio)-1H-indole is 307.00 g/mol.
Where can I buy 3-((3,4-dichlorobenzyl)thio)-1H-indole?
You can request a quote for 3-((3,4-dichlorobenzyl)thio)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3,4-dichlorobenzyl)thio)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-((3,4-dichlorobenzyl)thio)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.