2-(Dodecylthio)-aniline
TL;DR: 2-(Dodecylthio)-aniline (CAS 61900-55-8) is a chemical compound with molecular formula C18H31NS and molecular weight 293.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dodecylsulfanylaniline
Also Known As: 2-(dodecylthio)aniline, 2-dodecylsulfanylaniline, 2-(DODECYLTHIO)-ANILINE, 2-(dodecylsulfanyl)aniline, J2.709.083D
| Molecular Formula | C18H31NS |
|---|---|
| Molecular Weight | 293.22 g/mol |
| LogP | 6.2818 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 293.2177 |
| Heavy Atoms | 20 |
| Complexity | 337.94504 |
Chemical Identifiers
| CAS Number | 61900-55-8 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=CC=CC=C1N |
Product Overview
2-(Dodecylthio)-aniline (CAS 61900-55-8), with molecular formula C18H31NS and molecular weight 293.22 g/mol. IUPAC: 2-dodecylsulfanylaniline.
Chemical Property Profile of 2-(Dodecylthio)-aniline
Property Insights of 2-(Dodecylthio)-aniline
The XLogP value of 6.2818 indicates that 2-(Dodecylthio)-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-(Dodecylthio)-aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dodecylthio)-aniline 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 2-(Dodecylthio)-aniline?
The CAS number of 2-(Dodecylthio)-aniline is 61900-55-8.
What is the molecular formula of 2-(Dodecylthio)-aniline?
The molecular formula of 2-(Dodecylthio)-aniline is C18H31NS.
What is the molecular weight of 2-(Dodecylthio)-aniline?
The molecular weight of 2-(Dodecylthio)-aniline is 293.22 g/mol.
Where can I buy 2-(Dodecylthio)-aniline?
You can request a quote for 2-(Dodecylthio)-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dodecylthio)-aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dodecylthio)-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.