1-(1H-indol-3-ylsulfanyl)propan-2-one
TL;DR: 1-(1H-indol-3-ylsulfanyl)propan-2-one (CAS 80412-23-3) is a chemical compound with molecular formula C11H11NOS and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-3-ylsulfanyl)propan-2-one
Also Known As: 1-(1H-indol-3-ylsulfanyl)propan-2-one, 1-(1H-indol-3-ylsulfanyl)acetone, BAS 00297566, 1-((1H-indol-3-yl)thio)propan-2-one, 1-(1H-Indol-3-ylsulfanyl)-propan-2-one
| Molecular Formula | C11H11NOS |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | 2.849 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.05614 |
| Heavy Atoms | 14 |
| Complexity | 461.0104 |
Chemical Identifiers
| CAS Number | 80412-23-3 |
|---|---|
| SMILES | CC(=O)CSC1=CNC2=CC=CC=C21 |
Product Overview
1-(1H-indol-3-ylsulfanyl)propan-2-one (CAS 80412-23-3), with molecular formula C11H11NOS and molecular weight 205.06 g/mol. IUPAC: 1-(1H-indol-3-ylsulfanyl)propan-2-one.
Chemical Property Profile of 1-(1H-indol-3-ylsulfanyl)propan-2-one
Property Insights of 1-(1H-indol-3-ylsulfanyl)propan-2-one
The XLogP value of 2.849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-indol-3-ylsulfanyl)propan-2-one. With a topological polar surface area (TPSA) of 32.86 Ų, 1-(1H-indol-3-ylsulfanyl)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-indol-3-ylsulfanyl)propan-2-one has 1 hydrogen bond donor(s) and 2 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 1-(1H-indol-3-ylsulfanyl)propan-2-one?
The CAS number of 1-(1H-indol-3-ylsulfanyl)propan-2-one is 80412-23-3.
What is the molecular formula of 1-(1H-indol-3-ylsulfanyl)propan-2-one?
The molecular formula of 1-(1H-indol-3-ylsulfanyl)propan-2-one is C11H11NOS.
What is the molecular weight of 1-(1H-indol-3-ylsulfanyl)propan-2-one?
The molecular weight of 1-(1H-indol-3-ylsulfanyl)propan-2-one is 205.06 g/mol.
Where can I buy 1-(1H-indol-3-ylsulfanyl)propan-2-one?
You can request a quote for 1-(1H-indol-3-ylsulfanyl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-indol-3-ylsulfanyl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-indol-3-ylsulfanyl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.