4'-(Methylthio)acetanilide
TL;DR: 4'-(Methylthio)acetanilide (CAS 23054-48-0) 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-(4-methylsulfanylphenyl)acetamide
Also Known As: 4-Acetamidothioanisole, 4'-(Methylthio)acetanilide, N-(4-(Methylthio)phenyl)acetamide, N-(4-methylsulfanylphenyl)acetamide, 4-Acetamidothioan1sole
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 2.0 |
| 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 | 153.0 |
Chemical Identifiers
| CAS Number | 23054-48-0 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)SC |
| InChIKey | IYTZTJQAOQJQGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-(Methylthio)acetanilide (CAS 23054-48-0), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: N-(4-methylsulfanylphenyl)acetamide.
Chemical Property Profile of 4'-(Methylthio)acetanilide
Property Insights of 4'-(Methylthio)acetanilide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-(Methylthio)acetanilide. With a topological polar surface area (TPSA) of 54.4 Ų, 4'-(Methylthio)acetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-(Methylthio)acetanilide 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 4'-(Methylthio)acetanilide?
The CAS number of 4'-(Methylthio)acetanilide is 23054-48-0.
What is the molecular formula of 4'-(Methylthio)acetanilide?
The molecular formula of 4'-(Methylthio)acetanilide is C9H11NOS.
What is the molecular weight of 4'-(Methylthio)acetanilide?
The molecular weight of 4'-(Methylthio)acetanilide is 181.06 g/mol.
Where can I buy 4'-(Methylthio)acetanilide?
You can request a quote for 4'-(Methylthio)acetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-(Methylthio)acetanilide?
Yes, KEHONG BIO provides custom synthesis services for 4'-(Methylthio)acetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.