N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline
TL;DR: N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline (CAS 90887-95-9) is a chemical compound with molecular formula C10H10Cl3N3O4S and molecular weight 372.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline
Also Known As: N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline, N,N,3-TRIMETHYL-2,6-DINITRO-4-[(TRICHLOROMETHYL)SULFANYL]ANILINE, Benzenamine,n,n,3-trimethyl-2,6-dinitro-4-[(trichloromethyl)thio]-, Benzenamine, N,N,3-trimethyl-2,6-dinitro-4-[(trichloromethyl)thio]-
| Molecular Formula | C10H10Cl3N3O4S |
|---|---|
| Molecular Weight | 372.95 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.94577 |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 90887-95-9 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1[N+](=O)[O-])N(C)C)[N+](=O)[O-])SC(Cl)(Cl)Cl |
| InChIKey | TYRNLJGUAQYKGY-UHFFFAOYSA-N |
Product Overview
N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline (CAS 90887-95-9), with molecular formula C10H10Cl3N3O4S and molecular weight 372.95 g/mol. IUPAC: N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline.
Chemical Property Profile of N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline
Property Insights of N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline
The XLogP value of 4.5 indicates that N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline. Following Lipinski's Rule of Five, N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline has 0 hydrogen bond donor(s) and 6 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,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline?
The CAS number of N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline is 90887-95-9.
What is the molecular formula of N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline?
The molecular formula of N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline is C10H10Cl3N3O4S.
What is the molecular weight of N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline?
The molecular weight of N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline is 372.95 g/mol.
Where can I buy N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline?
You can request a quote for N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N,N,3-trimethyl-2,6-dinitro-4-(trichloromethylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.