3-Hexadecylthioaniline
TL;DR: 3-Hexadecylthioaniline (CAS 57946-69-7) is a chemical compound with molecular formula C22H39NS and molecular weight 349.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexadecylsulfanylaniline
Also Known As: 3-(Hexadecylsulfanyl)aniline, 3-(Hexadecylthio)aniline, 3-hexadecylsulfanylaniline, 3-HEXADECYLTHIOANILINE, Benzenamine, 3-(hexadecylthio)-
| Molecular Formula | C22H39NS |
|---|---|
| Molecular Weight | 349.28 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 349.28033 |
| Heavy Atoms | 24 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 57946-69-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC1=CC=CC(=C1)N |
| InChIKey | SRIWTNIWYDUONL-UHFFFAOYSA-N |
Product Overview
3-Hexadecylthioaniline (CAS 57946-69-7), with molecular formula C22H39NS and molecular weight 349.28 g/mol. IUPAC: 3-hexadecylsulfanylaniline.
Chemical Property Profile of 3-Hexadecylthioaniline
Property Insights of 3-Hexadecylthioaniline
The XLogP value of 9.5 indicates that 3-Hexadecylthioaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 3-Hexadecylthioaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexadecylthioaniline 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-Hexadecylthioaniline?
The CAS number of 3-Hexadecylthioaniline is 57946-69-7.
What is the molecular formula of 3-Hexadecylthioaniline?
The molecular formula of 3-Hexadecylthioaniline is C22H39NS.
What is the molecular weight of 3-Hexadecylthioaniline?
The molecular weight of 3-Hexadecylthioaniline is 349.28 g/mol.
Where can I buy 3-Hexadecylthioaniline?
You can request a quote for 3-Hexadecylthioaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexadecylthioaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexadecylthioaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.