2-(Benzylthio)aniline
TL;DR: 2-(Benzylthio)aniline (CAS 6325-92-4) is a chemical compound with molecular formula C13H13NS and molecular weight 215.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanylaniline
Also Known As: 2-(Benzylthio)aniline, 2-(benzylsulfanyl)aniline, 2-benzylsulfanylaniline, 2-Aminophenyl benzyl thioether, o-benzylthioaniline
| Molecular Formula | C13H13NS |
|---|---|
| Molecular Weight | 215.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.07687 |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
| Solubility | 4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 6325-92-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=CC=C2N |
| InChIKey | YOLYJTSQMGIQOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzylthio)aniline (CAS 6325-92-4), with molecular formula C13H13NS and molecular weight 215.08 g/mol. IUPAC: 2-benzylsulfanylaniline.
Chemical Property Profile of 2-(Benzylthio)aniline
Property Insights of 2-(Benzylthio)aniline
The XLogP value of 3.2 indicates that 2-(Benzylthio)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 2-(Benzylthio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylthio)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-(Benzylthio)aniline?
The CAS number of 2-(Benzylthio)aniline is 6325-92-4.
What is the molecular formula of 2-(Benzylthio)aniline?
The molecular formula of 2-(Benzylthio)aniline is C13H13NS.
What is the molecular weight of 2-(Benzylthio)aniline?
The molecular weight of 2-(Benzylthio)aniline is 215.08 g/mol.
Where can I buy 2-(Benzylthio)aniline?
You can request a quote for 2-(Benzylthio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylthio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.