![2-[(3-Chlorophenyl)methylsulfanyl]aniline structure](/static/products/915/915921-07-2.png)
2-[(3-Chlorophenyl)methylsulfanyl]aniline
TL;DR: 2-[(3-Chlorophenyl)methylsulfanyl]aniline (CAS 915921-07-2) 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.
2-[(3-chlorophenyl)methylsulfanyl]aniline
Also Known As: 2-[(3-chlorophenyl)methylsulfanyl]aniline, 2-[(3-chlorobenzyl)sulfanyl]aniline, 2-[(3-chlorobenzyl)thio]aniline, 2-((3-Chlorobenzyl)thio)aniline, 2-{[(3-CHLOROPHENYL)METHYL]SULFANYL}ANILINE
| Molecular Formula | C13H12ClNS |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 4.2145 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0379 |
| Heavy Atoms | 16 |
| Complexity | 484.86374 |
Chemical Identifiers
| CAS Number | 915921-07-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SCC2=CC(=CC=C2)Cl |
Product Overview
2-[(3-Chlorophenyl)methylsulfanyl]aniline (CAS 915921-07-2), with molecular formula C13H12ClNS and molecular weight 249.04 g/mol. IUPAC: 2-[(3-chlorophenyl)methylsulfanyl]aniline.
Chemical Property Profile of 2-[(3-Chlorophenyl)methylsulfanyl]aniline
Property Insights of 2-[(3-Chlorophenyl)methylsulfanyl]aniline
The XLogP value of 4.2145 indicates that 2-[(3-Chlorophenyl)methylsulfanyl]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, 2-[(3-Chlorophenyl)methylsulfanyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Chlorophenyl)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 2-[(3-Chlorophenyl)methylsulfanyl]aniline?
The CAS number of 2-[(3-Chlorophenyl)methylsulfanyl]aniline is 915921-07-2.
What is the molecular formula of 2-[(3-Chlorophenyl)methylsulfanyl]aniline?
The molecular formula of 2-[(3-Chlorophenyl)methylsulfanyl]aniline is C13H12ClNS.
What is the molecular weight of 2-[(3-Chlorophenyl)methylsulfanyl]aniline?
The molecular weight of 2-[(3-Chlorophenyl)methylsulfanyl]aniline is 249.04 g/mol.
Where can I buy 2-[(3-Chlorophenyl)methylsulfanyl]aniline?
You can request a quote for 2-[(3-Chlorophenyl)methylsulfanyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Chlorophenyl)methylsulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chlorophenyl)methylsulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.