4-Trimethysilylethynyl-N,N-dibutylaniline
TL;DR: 4-Trimethysilylethynyl-N,N-dibutylaniline (CAS 66787-06-2) is a chemical compound with molecular formula C18H18O2S4 and molecular weight 394.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2,6-dimethylphenyl) [(2,6-dimethylphenoxy)carbothioyldisulfanyl]methanethioate
Also Known As: 4-Trimethysilylethynyl-N,N-dibutylaniline, O-(2,6-dimethylphenyl) [(2,6-dimethylphenoxy)carbothioyldisu, 2-[({[(2,6-Dimethylphenoxy)carbonothioyl]disulfanyl}carbonothioyl)oxy]-1,3-dimethylbenzene, O-(2,6-dimethylphenyl) [(2,6-dimethylphenoxy)carbothioyldisulfanyl]methanethioate, (2,6-dimethylphenoxy)-(2,6-dimethylphenoxy)carbothioyldisulfanyl-methanethione
| Molecular Formula | C18H18O2S4 |
|---|---|
| Molecular Weight | 394.02 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.01895 |
| Heavy Atoms | 24 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 66787-06-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OC(=S)SSC(=S)OC2=C(C=CC=C2C)C |
| InChIKey | QDIVAHKDXLAUEN-UHFFFAOYSA-N |
Product Overview
4-Trimethysilylethynyl-N,N-dibutylaniline (CAS 66787-06-2), with molecular formula C18H18O2S4 and molecular weight 394.02 g/mol. IUPAC: O-(2,6-dimethylphenyl) [(2,6-dimethylphenoxy)carbothioyldisulfanyl]methanethioate.
Chemical Property Profile of 4-Trimethysilylethynyl-N,N-dibutylaniline
Property Insights of 4-Trimethysilylethynyl-N,N-dibutylaniline
The XLogP value of 7.1 indicates that 4-Trimethysilylethynyl-N,N-dibutylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Trimethysilylethynyl-N,N-dibutylaniline. Following Lipinski's Rule of Five, 4-Trimethysilylethynyl-N,N-dibutylaniline has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Trimethysilylethynyl-N,N-dibutylaniline?
The CAS number of 4-Trimethysilylethynyl-N,N-dibutylaniline is 66787-06-2.
What is the molecular formula of 4-Trimethysilylethynyl-N,N-dibutylaniline?
The molecular formula of 4-Trimethysilylethynyl-N,N-dibutylaniline is C18H18O2S4.
What is the molecular weight of 4-Trimethysilylethynyl-N,N-dibutylaniline?
The molecular weight of 4-Trimethysilylethynyl-N,N-dibutylaniline is 394.02 g/mol.
Where can I buy 4-Trimethysilylethynyl-N,N-dibutylaniline?
You can request a quote for 4-Trimethysilylethynyl-N,N-dibutylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Trimethysilylethynyl-N,N-dibutylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Trimethysilylethynyl-N,N-dibutylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.