![n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline structure](/static/products/5822/5822-69-5.webp)
n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline
TL;DR: n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline (CAS 5822-69-5) is a chemical compound with molecular formula C14H10Cl5NS and molecular weight 398.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[(2,3,4,5,6-pentachlorophenyl)sulfanylmethyl]aniline
Also Known As: n-methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline, N-methyl-N-[(2,3,4,5,6-pentachlorophenyl)sulfanylmethyl]aniline
| Molecular Formula | C14H10Cl5NS |
|---|---|
| Molecular Weight | 398.90 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.89764 |
| Heavy Atoms | 21 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 5822-69-5 |
|---|---|
| SMILES | CN(CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=CC=CC=C2 |
| InChIKey | ARFKDMUECABLBM-UHFFFAOYSA-N |
Product Overview
n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline (CAS 5822-69-5), with molecular formula C14H10Cl5NS and molecular weight 398.90 g/mol. IUPAC: N-methyl-N-[(2,3,4,5,6-pentachlorophenyl)sulfanylmethyl]aniline.
Chemical Property Profile of n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline
Property Insights of n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline
The XLogP value of 7.5 indicates that n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline?
The CAS number of n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline is 5822-69-5.
What is the molecular formula of n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline?
The molecular formula of n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline is C14H10Cl5NS.
What is the molecular weight of n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline?
The molecular weight of n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline is 398.90 g/mol.
Where can I buy n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline?
You can request a quote for n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline?
Yes, KEHONG BIO provides custom synthesis services for n-Methyl-n-{[(pentachlorophenyl)sulfanyl]methyl}aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.