![4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline structure](/static/products/959/959-82-0.png)
4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline
TL;DR: 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline (CAS 959-82-0) is a chemical compound with molecular formula C15H16ClNS and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)sulfanylmethyl]-N,N-dimethylaniline
Also Known As: NCIOpen2_002492, 4-(((4-chlorophenyl)thio)methyl)-N,N-dimethylaniline, 4-[(4-chlorophenyl)sulfanylmethyl]-N,N-dimethylaniline, 4-{[(4-CHLOROPHENYL)SULFANYL]METHYL}-N,N-DIMETHYLANILINE, Benzenamine,4-[[(4-chlorophenyl)thio]methyl]-n,n-dimethyl-
| Molecular Formula | C15H16ClNS |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.06918 |
| Heavy Atoms | 18 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 959-82-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl |
| InChIKey | VSUBVIKLKNWUKN-UHFFFAOYSA-N |
Product Overview
4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline (CAS 959-82-0), with molecular formula C15H16ClNS and molecular weight 277.07 g/mol. IUPAC: 4-[(4-chlorophenyl)sulfanylmethyl]-N,N-dimethylaniline.
Chemical Property Profile of 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline
Property Insights of 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline
The XLogP value of 4.7 indicates that 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline has 0 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-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline?
The CAS number of 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline is 959-82-0.
What is the molecular formula of 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline?
The molecular formula of 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline is C15H16ClNS.
What is the molecular weight of 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline?
The molecular weight of 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline is 277.07 g/mol.
Where can I buy 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline?
You can request a quote for 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-Chlorophenyl)sulfanyl]methyl}-N,N-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.