2-methyl-3-(phenylthio)-1H-indole
TL;DR: 2-methyl-3-(phenylthio)-1H-indole (CAS 56366-45-1) is a chemical compound with molecular formula C15H13NS and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-phenylsulfanyl-1H-indole
Also Known As: 2-methyl-3-phenylthioindole, 2-methyl-3-(phenylthio)-1H-indole, TimTec1_000016, 2-methyl-3-phenylsulfanyl-1H-indole, 2-Methyl-3-phenylthio-1H-indole
| Molecular Formula | C15H13NS |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.07687 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 56366-45-1 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3 |
| InChIKey | XIOLLGNEJMLTKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-methyl-3-(phenylthio)-1H-indole (CAS 56366-45-1), with molecular formula C15H13NS and molecular weight 239.08 g/mol. IUPAC: 2-methyl-3-phenylsulfanyl-1H-indole.
Chemical Property Profile of 2-methyl-3-(phenylthio)-1H-indole
Property Insights of 2-methyl-3-(phenylthio)-1H-indole
The XLogP value of 4.5 indicates that 2-methyl-3-(phenylthio)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2-methyl-3-(phenylthio)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-3-(phenylthio)-1H-indole has 1 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 2-methyl-3-(phenylthio)-1H-indole?
The CAS number of 2-methyl-3-(phenylthio)-1H-indole is 56366-45-1.
What is the molecular formula of 2-methyl-3-(phenylthio)-1H-indole?
The molecular formula of 2-methyl-3-(phenylthio)-1H-indole is C15H13NS.
What is the molecular weight of 2-methyl-3-(phenylthio)-1H-indole?
The molecular weight of 2-methyl-3-(phenylthio)-1H-indole is 239.08 g/mol.
Where can I buy 2-methyl-3-(phenylthio)-1H-indole?
You can request a quote for 2-methyl-3-(phenylthio)-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-(phenylthio)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-(phenylthio)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.