3-Phenylthioindole
TL;DR: 3-Phenylthioindole (CAS 54491-43-9) is a chemical compound with molecular formula C14H11NS and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylsulfanyl-1H-indole
Also Known As: 3-(Phenylthio)-1H-indole, 3-phenylthioindole, 3-phenylsulfanyl-1H-indole, 3-(phenylthio)indole, 1H-Indole, 3-(phenylthio)-
| Molecular Formula | C14H11NS |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 4.3191 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.06122 |
| Heavy Atoms | 16 |
| Complexity | 598.2135 |
Chemical Identifiers
| CAS Number | 54491-43-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CNC3=CC=CC=C32 |
Product Overview
3-Phenylthioindole (CAS 54491-43-9), with molecular formula C14H11NS and molecular weight 225.06 g/mol. IUPAC: 3-phenylsulfanyl-1H-indole.
Chemical Property Profile of 3-Phenylthioindole
Property Insights of 3-Phenylthioindole
The XLogP value of 4.3191 indicates that 3-Phenylthioindole 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-Phenylthioindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylthioindole 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 3-Phenylthioindole?
The CAS number of 3-Phenylthioindole is 54491-43-9.
What is the molecular formula of 3-Phenylthioindole?
The molecular formula of 3-Phenylthioindole is C14H11NS.
What is the molecular weight of 3-Phenylthioindole?
The molecular weight of 3-Phenylthioindole is 225.06 g/mol.
Where can I buy 3-Phenylthioindole?
You can request a quote for 3-Phenylthioindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylthioindole?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylthioindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.