![4-Chloro-2-[(phenylsulfanyl)methyl]aniline structure](/static/products/5316/53165-13-2.webp)
4-Chloro-2-[(phenylsulfanyl)methyl]aniline
TL;DR: 4-Chloro-2-[(phenylsulfanyl)methyl]aniline (CAS 53165-13-2) 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.
4-chloro-2-(phenylsulfanylmethyl)aniline
Also Known As: 4-chloro-2-(phenylsulfanylmethyl)aniline, 4-Chloro-2-[(phenylsulfanyl)methyl]aniline
| Molecular Formula | C13H12ClNS |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0379 |
| Heavy Atoms | 16 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 53165-13-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=C(C=CC(=C2)Cl)N |
| InChIKey | PUAHYGGTRIREJM-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-[(phenylsulfanyl)methyl]aniline (CAS 53165-13-2), with molecular formula C13H12ClNS and molecular weight 249.04 g/mol. IUPAC: 4-chloro-2-(phenylsulfanylmethyl)aniline.
Chemical Property Profile of 4-Chloro-2-[(phenylsulfanyl)methyl]aniline
Property Insights of 4-Chloro-2-[(phenylsulfanyl)methyl]aniline
The XLogP value of 3.9 indicates that 4-Chloro-2-[(phenylsulfanyl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 4-Chloro-2-[(phenylsulfanyl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-[(phenylsulfanyl)methyl]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-Chloro-2-[(phenylsulfanyl)methyl]aniline?
The CAS number of 4-Chloro-2-[(phenylsulfanyl)methyl]aniline is 53165-13-2.
What is the molecular formula of 4-Chloro-2-[(phenylsulfanyl)methyl]aniline?
The molecular formula of 4-Chloro-2-[(phenylsulfanyl)methyl]aniline is C13H12ClNS.
What is the molecular weight of 4-Chloro-2-[(phenylsulfanyl)methyl]aniline?
The molecular weight of 4-Chloro-2-[(phenylsulfanyl)methyl]aniline is 249.04 g/mol.
Where can I buy 4-Chloro-2-[(phenylsulfanyl)methyl]aniline?
You can request a quote for 4-Chloro-2-[(phenylsulfanyl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-[(phenylsulfanyl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-[(phenylsulfanyl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.