![3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline structure](/static/products/1998/199803-23-1.webp)
3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline
TL;DR: 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline (CAS 199803-23-1) is a chemical compound with molecular formula C13H12ClNS and molecular weight 249.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(4-methylphenyl)sulfanylaniline
Also Known As: Sparfosic, 3-chloro-2-[(4-methylphenyl)sulfanyl]aniline, 3-chloro-2-[(4-methylphenyl)thio]aniline, 3-Chloro-2-(p-tolylthio)aniline, 3-chloro-2-(4-methylphenyl)sulfanylaniline
| Molecular Formula | C13H12ClNS |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 4.38182 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.0379 |
| Heavy Atoms | 16 |
| Complexity | 473.53583 |
Chemical Identifiers
| CAS Number | 199803-23-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=CC=C2Cl)N |
Product Overview
3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline (CAS 199803-23-1), with molecular formula C13H12ClNS and molecular weight 249.04 g/mol. IUPAC: 3-chloro-2-(4-methylphenyl)sulfanylaniline.
Chemical Property Profile of 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline
Property Insights of 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline
The XLogP value of 4.38182 indicates that 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-[(4-methylphenyl)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 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline?
The CAS number of 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline is 199803-23-1.
What is the molecular formula of 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline?
The molecular formula of 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline is C13H12ClNS.
What is the molecular weight of 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline?
The molecular weight of 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline is 249.04 g/mol.
Where can I buy 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline?
You can request a quote for 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-[(4-methylphenyl)sulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.