N-tert-butyl-2-methylsulfanylbenzamide
TL;DR: N-tert-butyl-2-methylsulfanylbenzamide (CAS 79054-71-0) is a chemical compound with molecular formula C12H17NOS and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-methylsulfanylbenzamide
Also Known As: N-t-butyl-2-(methylyhio)benzamide, N-tert-butyl-2-methylsulfanylbenzamide, 2-(Methylthio)-N-tert-butylbenzamide, N-tert-butyl-2-(methylsulfanyl)benzamide, N-tert-Butyl-2-(methylthio)benzamide
| Molecular Formula | C12H17NOS |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 2.9368 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.10309 |
| Heavy Atoms | 15 |
| Complexity | 354.88492 |
Chemical Identifiers
| CAS Number | 79054-71-0 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC=CC=C1SC |
Product Overview
N-tert-butyl-2-methylsulfanylbenzamide (CAS 79054-71-0), with molecular formula C12H17NOS and molecular weight 223.10 g/mol. IUPAC: N-tert-butyl-2-methylsulfanylbenzamide.
Chemical Property Profile of N-tert-butyl-2-methylsulfanylbenzamide
Property Insights of N-tert-butyl-2-methylsulfanylbenzamide
The XLogP value of 2.9368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-2-methylsulfanylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-tert-butyl-2-methylsulfanylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-2-methylsulfanylbenzamide 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-tert-butyl-2-methylsulfanylbenzamide?
The CAS number of N-tert-butyl-2-methylsulfanylbenzamide is 79054-71-0.
What is the molecular formula of N-tert-butyl-2-methylsulfanylbenzamide?
The molecular formula of N-tert-butyl-2-methylsulfanylbenzamide is C12H17NOS.
What is the molecular weight of N-tert-butyl-2-methylsulfanylbenzamide?
The molecular weight of N-tert-butyl-2-methylsulfanylbenzamide is 223.10 g/mol.
Where can I buy N-tert-butyl-2-methylsulfanylbenzamide?
You can request a quote for N-tert-butyl-2-methylsulfanylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-2-methylsulfanylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-2-methylsulfanylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.