3-Acetamidothioanisole
TL;DR: 3-Acetamidothioanisole (CAS 585-50-2) is a chemical compound with molecular formula C9H11NOS and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylsulfanylphenyl)acetamide
Also Known As: 3-Acetamidothioanisole, 3-Acetamido thioanisole, N-(3-(methylthio)phenyl)acetamide, 3'-(Methylthio)acetanilide, 3-acetamidothioaniso
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.05614 |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 585-50-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC=C1)SC |
| InChIKey | DFRHNWNBWOIBRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetamidothioanisole (CAS 585-50-2), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: N-(3-methylsulfanylphenyl)acetamide.
Chemical Property Profile of 3-Acetamidothioanisole
Property Insights of 3-Acetamidothioanisole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetamidothioanisole. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Acetamidothioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetamidothioanisole 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 3-Acetamidothioanisole?
The CAS number of 3-Acetamidothioanisole is 585-50-2.
What is the molecular formula of 3-Acetamidothioanisole?
The molecular formula of 3-Acetamidothioanisole is C9H11NOS.
What is the molecular weight of 3-Acetamidothioanisole?
The molecular weight of 3-Acetamidothioanisole is 181.06 g/mol.
Where can I buy 3-Acetamidothioanisole?
You can request a quote for 3-Acetamidothioanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetamidothioanisole?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetamidothioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.