2-methyl-3-((4-methylbenzyl)thio)-1H-indole
TL;DR: 2-methyl-3-((4-methylbenzyl)thio)-1H-indole (CAS 536702-27-9) is a chemical compound with molecular formula C17H17NS and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[(4-methylphenyl)methylsulfanyl]-1H-indole
Also Known As: 2-methyl-3-((4-methylbenzyl)thio)-1H-indole, 2-methyl-3-[(p-tolyl)methylthio]indole, 2-methyl-3-[(4-methylphenyl)methylsulfanyl]-1H-indole, 2-methyl-3-{[(4-methylphenyl)methyl]sulfanyl}-1H-indole, F0575-0062
| Molecular Formula | C17H17NS |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 5.07704 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.1082 |
| Heavy Atoms | 19 |
| Complexity | 694.8588 |
Chemical Identifiers
| CAS Number | 536702-27-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=C(NC3=CC=CC=C32)C |
Product Overview
2-methyl-3-((4-methylbenzyl)thio)-1H-indole (CAS 536702-27-9), with molecular formula C17H17NS and molecular weight 267.11 g/mol. IUPAC: 2-methyl-3-[(4-methylphenyl)methylsulfanyl]-1H-indole.
Chemical Property Profile of 2-methyl-3-((4-methylbenzyl)thio)-1H-indole
Property Insights of 2-methyl-3-((4-methylbenzyl)thio)-1H-indole
The XLogP value of 5.07704 indicates that 2-methyl-3-((4-methylbenzyl)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, 2-methyl-3-((4-methylbenzyl)thio)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-3-((4-methylbenzyl)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 2-methyl-3-((4-methylbenzyl)thio)-1H-indole?
The CAS number of 2-methyl-3-((4-methylbenzyl)thio)-1H-indole is 536702-27-9.
What is the molecular formula of 2-methyl-3-((4-methylbenzyl)thio)-1H-indole?
The molecular formula of 2-methyl-3-((4-methylbenzyl)thio)-1H-indole is C17H17NS.
What is the molecular weight of 2-methyl-3-((4-methylbenzyl)thio)-1H-indole?
The molecular weight of 2-methyl-3-((4-methylbenzyl)thio)-1H-indole is 267.11 g/mol.
Where can I buy 2-methyl-3-((4-methylbenzyl)thio)-1H-indole?
You can request a quote for 2-methyl-3-((4-methylbenzyl)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 2-methyl-3-((4-methylbenzyl)thio)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-((4-methylbenzyl)thio)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.