N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine
TL;DR: N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine (CAS 53462-62-7) is a chemical compound with molecular formula C13H20N2OS and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-N-(1-methylsulfanyl-2-phenylethyl)nitrous amide
Also Known As: N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine, Benzeneethanamine, N-(1,1-dimethylethyl)-alpha-(methylthio)-N-nitroso-, N-tert-butyl-N-(1-methylsulfanyl-2-phenylethyl)nitrous amide, N-tert-Butyl-N-[1-(methylsulfanyl)-2-phenylethyl]nitrous amide, Benzeneethanamine, N-(1,1-dimethylethyl)-.alpha.-(methylthio)-N-nitroso-
| Molecular Formula | C13H20N2OS |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.12964 |
| Heavy Atoms | 17 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 53462-62-7 |
|---|---|
| SMILES | CC(C)(C)N(C(CC1=CC=CC=C1)SC)N=O |
| InChIKey | YDFRALKLBLBKBN-UHFFFAOYSA-N |
Product Overview
N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine (CAS 53462-62-7), with molecular formula C13H20N2OS and molecular weight 252.13 g/mol. IUPAC: N-tert-butyl-N-(1-methylsulfanyl-2-phenylethyl)nitrous amide.
Chemical Property Profile of N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine
Property Insights of N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine
The XLogP value of 3.9 indicates that N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine has 0 hydrogen bond donor(s) and 4 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-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine?
The CAS number of N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine is 53462-62-7.
What is the molecular formula of N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine?
The molecular formula of N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine is C13H20N2OS.
What is the molecular weight of N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine?
The molecular weight of N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine is 252.13 g/mol.
Where can I buy N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine?
You can request a quote for N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-Dimethylethyl)-alpha-(methylthio)-N-nitrosobenzeneethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.