o-(m-Tolylmercapto)aniline
TL;DR: o-(m-Tolylmercapto)aniline (CAS 54815-68-8) 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-(3-methylphenyl)sulfanylaniline
Also Known As: 2-(m-tolylthio)aniline, Vortioxetine Impurity 84, o-(m-Tolylmercapto)aniline, Vortioxetine Impurity 154, 2-(m-tolylsulfanyl)aniline
| Molecular Formula | C13H13NS |
|---|---|
| Molecular Weight | 215.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.07687 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 54815-68-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)SC2=CC=CC=C2N |
| InChIKey | KZVLGATWJQOWNX-UHFFFAOYSA-N |
Product Overview
o-(m-Tolylmercapto)aniline (CAS 54815-68-8), with molecular formula C13H13NS and molecular weight 215.08 g/mol. IUPAC: 2-(3-methylphenyl)sulfanylaniline.
Chemical Property Profile of o-(m-Tolylmercapto)aniline
Property Insights of o-(m-Tolylmercapto)aniline
The XLogP value of 3.7 indicates that o-(m-Tolylmercapto)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, o-(m-Tolylmercapto)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-(m-Tolylmercapto)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 o-(m-Tolylmercapto)aniline?
The CAS number of o-(m-Tolylmercapto)aniline is 54815-68-8.
What is the molecular formula of o-(m-Tolylmercapto)aniline?
The molecular formula of o-(m-Tolylmercapto)aniline is C13H13NS.
What is the molecular weight of o-(m-Tolylmercapto)aniline?
The molecular weight of o-(m-Tolylmercapto)aniline is 215.08 g/mol.
Where can I buy o-(m-Tolylmercapto)aniline?
You can request a quote for o-(m-Tolylmercapto)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-(m-Tolylmercapto)aniline?
Yes, KEHONG BIO provides custom synthesis services for o-(m-Tolylmercapto)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.