2-(Allylthio)aniline
TL;DR: 2-(Allylthio)aniline (CAS 77053-20-4) is a chemical compound with molecular formula C9H11NS and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enylsulfanylaniline
Also Known As: 2-(allylthio)aniline, 2-(prop-2-en-1-ylsulfanyl)aniline, 2-allylsulfanylaniline, 2-prop-2-enylsulfanylaniline, 2-(allylsulfanyl)phenylamine
| Molecular Formula | C9H11NS |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 2.5469 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.06122 |
| Heavy Atoms | 11 |
| Complexity | 245.07298 |
Chemical Identifiers
| CAS Number | 77053-20-4 |
|---|---|
| SMILES | C=CCSC1=CC=CC=C1N |
Product Overview
2-(Allylthio)aniline (CAS 77053-20-4), with molecular formula C9H11NS and molecular weight 165.06 g/mol. IUPAC: 2-prop-2-enylsulfanylaniline.
Chemical Property Profile of 2-(Allylthio)aniline
Property Insights of 2-(Allylthio)aniline
The XLogP value of 2.5469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Allylthio)aniline. With a topological polar surface area (TPSA) of 26.02 Ų, 2-(Allylthio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allylthio)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-(Allylthio)aniline?
The CAS number of 2-(Allylthio)aniline is 77053-20-4.
What is the molecular formula of 2-(Allylthio)aniline?
The molecular formula of 2-(Allylthio)aniline is C9H11NS.
What is the molecular weight of 2-(Allylthio)aniline?
The molecular weight of 2-(Allylthio)aniline is 165.06 g/mol.
Where can I buy 2-(Allylthio)aniline?
You can request a quote for 2-(Allylthio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Allylthio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.