N-isopropyl-2-(methylthio)benzamide
TL;DR: N-isopropyl-2-(methylthio)benzamide (CAS 79054-70-9) is a chemical compound with molecular formula C11H15NOS and molecular weight 209.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-N-propan-2-ylbenzamide
Also Known As: N-isopropyl-2-(methylthio)benzamide, 2-methylsulfanyl-N-propan-2-ylbenzamide, 2-(methylsulfanyl)-N-(propan-2-yl)benzamide, AB01326502-02
| Molecular Formula | C11H15NOS |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | 2.5467 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08743 |
| Heavy Atoms | 14 |
| Complexity | 322.8185 |
Chemical Identifiers
| CAS Number | 79054-70-9 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC=CC=C1SC |
Product Overview
N-isopropyl-2-(methylthio)benzamide (CAS 79054-70-9), with molecular formula C11H15NOS and molecular weight 209.09 g/mol. IUPAC: 2-methylsulfanyl-N-propan-2-ylbenzamide.
Chemical Property Profile of N-isopropyl-2-(methylthio)benzamide
Property Insights of N-isopropyl-2-(methylthio)benzamide
The XLogP value of 2.5467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopropyl-2-(methylthio)benzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-isopropyl-2-(methylthio)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isopropyl-2-(methylthio)benzamide 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 N-isopropyl-2-(methylthio)benzamide?
The CAS number of N-isopropyl-2-(methylthio)benzamide is 79054-70-9.
What is the molecular formula of N-isopropyl-2-(methylthio)benzamide?
The molecular formula of N-isopropyl-2-(methylthio)benzamide is C11H15NOS.
What is the molecular weight of N-isopropyl-2-(methylthio)benzamide?
The molecular weight of N-isopropyl-2-(methylthio)benzamide is 209.09 g/mol.
Where can I buy N-isopropyl-2-(methylthio)benzamide?
You can request a quote for N-isopropyl-2-(methylthio)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isopropyl-2-(methylthio)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-isopropyl-2-(methylthio)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.