![4-Methyl-N-[(trichloromethyl)sulfanyl]aniline structure](/static/products/1618/16188-40-2.webp)
4-Methyl-N-[(trichloromethyl)sulfanyl]aniline
TL;DR: 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline (CAS 16188-40-2) is a chemical compound with molecular formula C8H8Cl3NS and molecular weight 254.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(trichloromethylsulfanyl)aniline
Also Known As: 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline, 4-methyl-N-(trichloromethylsulfanyl)aniline, N-(Trichloromethylthio)-4-methylaniline, N-(p-Tolyl)-alpha,alpha,alpha-trichloromethanesulfenamide
| Molecular Formula | C8H8Cl3NS |
|---|---|
| Molecular Weight | 254.94 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.9443 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 16188-40-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NSC(Cl)(Cl)Cl |
| InChIKey | KGWLMAHPOXISCV-UHFFFAOYSA-N |
Product Overview
4-Methyl-N-[(trichloromethyl)sulfanyl]aniline (CAS 16188-40-2), with molecular formula C8H8Cl3NS and molecular weight 254.94 g/mol. IUPAC: 4-methyl-N-(trichloromethylsulfanyl)aniline.
Chemical Property Profile of 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline
Property Insights of 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline
The XLogP value of 4.7 indicates that 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline 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 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline?
The CAS number of 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline is 16188-40-2.
What is the molecular formula of 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline?
The molecular formula of 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline is C8H8Cl3NS.
What is the molecular weight of 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline?
The molecular weight of 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline is 254.94 g/mol.
Where can I buy 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline?
You can request a quote for 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-N-[(trichloromethyl)sulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.