benzyl 1H-indol-2-yl sulfide
TL;DR: benzyl 1H-indol-2-yl sulfide (CAS 32952-81-1) 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-benzylsulfanyl-1H-indole
Also Known As: benzyl 1H-indol-2-yl sulfide, 2-benzylsulfanyl-1H-indole, 2-(Benzylthio)-1H-indole, 2-(benzylsulfanyl)-1H-indole, J2.784.481B
| Molecular Formula | C15H13NS |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 4.4602 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.07687 |
| Heavy Atoms | 17 |
| Complexity | 579.9129 |
Chemical Identifiers
| CAS Number | 32952-81-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC3=CC=CC=C3N2 |
Product Overview
benzyl 1H-indol-2-yl sulfide (CAS 32952-81-1), with molecular formula C15H13NS and molecular weight 239.08 g/mol. IUPAC: 2-benzylsulfanyl-1H-indole.
Chemical Property Profile of benzyl 1H-indol-2-yl sulfide
Property Insights of benzyl 1H-indol-2-yl sulfide
The XLogP value of 4.4602 indicates that benzyl 1H-indol-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, benzyl 1H-indol-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 1H-indol-2-yl sulfide 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 benzyl 1H-indol-2-yl sulfide?
The CAS number of benzyl 1H-indol-2-yl sulfide is 32952-81-1.
What is the molecular formula of benzyl 1H-indol-2-yl sulfide?
The molecular formula of benzyl 1H-indol-2-yl sulfide is C15H13NS.
What is the molecular weight of benzyl 1H-indol-2-yl sulfide?
The molecular weight of benzyl 1H-indol-2-yl sulfide is 239.08 g/mol.
Where can I buy benzyl 1H-indol-2-yl sulfide?
You can request a quote for benzyl 1H-indol-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 1H-indol-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for benzyl 1H-indol-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.