3-Chloro-2-(methylsulfanyl)aniline
TL;DR: 3-Chloro-2-(methylsulfanyl)aniline (CAS 19284-91-4) is a chemical compound with molecular formula C7H8ClNS and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-methylsulfanylaniline
Also Known As: 3-chloro-2-(methylsulfanyl)aniline, 3-chloro-2-(methylthio)aniline, 3-chloro-2-methylsulfanylaniline, 3-chloro-2-(methylthio)benzenamine, 2-amino-6-chlorophenyl methyl sulphide
| Molecular Formula | C7H8ClNS |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.00659 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 19284-91-4 |
|---|---|
| SMILES | CSC1=C(C=CC=C1Cl)N |
| InChIKey | WYILPFRFCVIKAK-UHFFFAOYSA-N |
Product Overview
3-Chloro-2-(methylsulfanyl)aniline (CAS 19284-91-4), with molecular formula C7H8ClNS and molecular weight 173.01 g/mol. IUPAC: 3-chloro-2-methylsulfanylaniline.
Chemical Property Profile of 3-Chloro-2-(methylsulfanyl)aniline
Property Insights of 3-Chloro-2-(methylsulfanyl)aniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-(methylsulfanyl)aniline. With a topological polar surface area (TPSA) of 51.3 Ų, 3-Chloro-2-(methylsulfanyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-(methylsulfanyl)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-(methylsulfanyl)aniline?
The CAS number of 3-Chloro-2-(methylsulfanyl)aniline is 19284-91-4.
What is the molecular formula of 3-Chloro-2-(methylsulfanyl)aniline?
The molecular formula of 3-Chloro-2-(methylsulfanyl)aniline is C7H8ClNS.
What is the molecular weight of 3-Chloro-2-(methylsulfanyl)aniline?
The molecular weight of 3-Chloro-2-(methylsulfanyl)aniline is 173.01 g/mol.
Where can I buy 3-Chloro-2-(methylsulfanyl)aniline?
You can request a quote for 3-Chloro-2-(methylsulfanyl)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-(methylsulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-(methylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.