3-Chloro-4-naphthalen-1-ylsulfanylaniline
TL;DR: 3-Chloro-4-naphthalen-1-ylsulfanylaniline (CAS 76590-39-1) is a chemical compound with molecular formula C16H12ClNS and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-naphthalen-1-ylsulfanylaniline
Also Known As: 3-chloro-4-(naphthalen-1-ylthio)aniline, 3-chloro-4-naphthalen-1-ylsulfanyl-aniline
| Molecular Formula | C16H12ClNS |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 5.2266 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.0379 |
| Heavy Atoms | 19 |
| Complexity | 734.4005 |
Chemical Identifiers
| CAS Number | 76590-39-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2SC3=C(C=C(C=C3)N)Cl |
Product Overview
3-Chloro-4-naphthalen-1-ylsulfanylaniline (CAS 76590-39-1), with molecular formula C16H12ClNS and molecular weight 285.04 g/mol. IUPAC: 3-chloro-4-naphthalen-1-ylsulfanylaniline.
Chemical Property Profile of 3-Chloro-4-naphthalen-1-ylsulfanylaniline
Property Insights of 3-Chloro-4-naphthalen-1-ylsulfanylaniline
The XLogP value of 5.2266 indicates that 3-Chloro-4-naphthalen-1-ylsulfanylaniline 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-4-naphthalen-1-ylsulfanylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-naphthalen-1-ylsulfanylaniline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-naphthalen-1-ylsulfanylaniline?
The CAS number of 3-Chloro-4-naphthalen-1-ylsulfanylaniline is 76590-39-1.
What is the molecular formula of 3-Chloro-4-naphthalen-1-ylsulfanylaniline?
The molecular formula of 3-Chloro-4-naphthalen-1-ylsulfanylaniline is C16H12ClNS.
What is the molecular weight of 3-Chloro-4-naphthalen-1-ylsulfanylaniline?
The molecular weight of 3-Chloro-4-naphthalen-1-ylsulfanylaniline is 285.04 g/mol.
Where can I buy 3-Chloro-4-naphthalen-1-ylsulfanylaniline?
You can request a quote for 3-Chloro-4-naphthalen-1-ylsulfanylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-naphthalen-1-ylsulfanylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-naphthalen-1-ylsulfanylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.