![Indole, 3-[(benzylthio)methyl]- structure](/static/products/219/21903-71-9.png)
Indole, 3-[(benzylthio)methyl]-
TL;DR: Indole, 3-[(benzylthio)methyl]- (CAS 21903-71-9) is a chemical compound with molecular formula C16H15NS and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylsulfanylmethyl)-1H-indole
Also Known As: 3-[ methyl]-1H-indole, Indole, 3-[(benzylthio)methyl]-, 3-(benzylsulfanylmethyl)-1H-indole, 3-[(Benzylthio)methyl]-1H-indole, 3-[(benzylsulfanyl)methyl]-1H-indole
| Molecular Formula | C16H15NS |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.09251 |
| Heavy Atoms | 18 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 21903-71-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=CNC3=CC=CC=C32 |
| InChIKey | ZLYNJYMWUSVWEL-UHFFFAOYSA-N |
Product Overview
Indole, 3-[(benzylthio)methyl]- (CAS 21903-71-9), with molecular formula C16H15NS and molecular weight 253.09 g/mol. IUPAC: 3-(benzylsulfanylmethyl)-1H-indole.
Chemical Property Profile of Indole, 3-[(benzylthio)methyl]-
Property Insights of Indole, 3-[(benzylthio)methyl]-
The XLogP value of 3.9 indicates that Indole, 3-[(benzylthio)methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Indole, 3-[(benzylthio)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 3-[(benzylthio)methyl]- 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 Indole, 3-[(benzylthio)methyl]-?
The CAS number of Indole, 3-[(benzylthio)methyl]- is 21903-71-9.
What is the molecular formula of Indole, 3-[(benzylthio)methyl]-?
The molecular formula of Indole, 3-[(benzylthio)methyl]- is C16H15NS.
What is the molecular weight of Indole, 3-[(benzylthio)methyl]-?
The molecular weight of Indole, 3-[(benzylthio)methyl]- is 253.09 g/mol.
Where can I buy Indole, 3-[(benzylthio)methyl]-?
You can request a quote for Indole, 3-[(benzylthio)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-[(benzylthio)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-[(benzylthio)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.