2-(2-Chloro-6-fluorobenzylthio)aniline
TL;DR: 2-(2-Chloro-6-fluorobenzylthio)aniline (CAS 646-97-9) is a chemical compound with molecular formula C13H11ClFNS and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline
Also Known As: 2-(2-Chloro-6-fluorobenzylthio)aniline, 2-((2-Chloro-6-fluorobenzyl)thio)aniline, 2-[(2-CHLORO-6-FLUOROBENZYL)THIO]ANILINE, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}aniline
| Molecular Formula | C13H11ClFNS |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 4.3536 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.02847 |
| Heavy Atoms | 17 |
| Complexity | 510.32794 |
Chemical Identifiers
| CAS Number | 646-97-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SCC2=C(C=CC=C2Cl)F |
Product Overview
2-(2-Chloro-6-fluorobenzylthio)aniline (CAS 646-97-9), with molecular formula C13H11ClFNS and molecular weight 267.03 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline.
Chemical Property Profile of 2-(2-Chloro-6-fluorobenzylthio)aniline
Property Insights of 2-(2-Chloro-6-fluorobenzylthio)aniline
The XLogP value of 4.3536 indicates that 2-(2-Chloro-6-fluorobenzylthio)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-(2-Chloro-6-fluorobenzylthio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloro-6-fluorobenzylthio)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-(2-Chloro-6-fluorobenzylthio)aniline?
The CAS number of 2-(2-Chloro-6-fluorobenzylthio)aniline is 646-97-9.
What is the molecular formula of 2-(2-Chloro-6-fluorobenzylthio)aniline?
The molecular formula of 2-(2-Chloro-6-fluorobenzylthio)aniline is C13H11ClFNS.
What is the molecular weight of 2-(2-Chloro-6-fluorobenzylthio)aniline?
The molecular weight of 2-(2-Chloro-6-fluorobenzylthio)aniline is 267.03 g/mol.
Where can I buy 2-(2-Chloro-6-fluorobenzylthio)aniline?
You can request a quote for 2-(2-Chloro-6-fluorobenzylthio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloro-6-fluorobenzylthio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-6-fluorobenzylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.