o-Mercaptobenzylideneaniline
TL;DR: o-Mercaptobenzylideneaniline (CAS 42152-36-3) is a chemical compound with molecular formula C13H11NS and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylideneamino)benzenethiol
Also Known As: 2-(benzylideneamino)benzenethiol, o-mercaptobenzylideneaniline, 2-(benzylideneamino)thiophenol, 2-(Phenylmethyleneamino)benzenethiol, 2-(Benzylideneamino)benzene-1-thiol
| Molecular Formula | C13H11NS |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 3.7259 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.06122 |
| Heavy Atoms | 15 |
| Complexity | 462.972 |
Chemical Identifiers
| CAS Number | 42152-36-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=CC=CC=C2S |
Product Overview
o-Mercaptobenzylideneaniline (CAS 42152-36-3), with molecular formula C13H11NS and molecular weight 213.06 g/mol. IUPAC: 2-(benzylideneamino)benzenethiol.
Chemical Property Profile of o-Mercaptobenzylideneaniline
Property Insights of o-Mercaptobenzylideneaniline
The XLogP value of 3.7259 indicates that o-Mercaptobenzylideneaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, o-Mercaptobenzylideneaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Mercaptobenzylideneaniline 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-Mercaptobenzylideneaniline?
The CAS number of o-Mercaptobenzylideneaniline is 42152-36-3.
What is the molecular formula of o-Mercaptobenzylideneaniline?
The molecular formula of o-Mercaptobenzylideneaniline is C13H11NS.
What is the molecular weight of o-Mercaptobenzylideneaniline?
The molecular weight of o-Mercaptobenzylideneaniline is 213.06 g/mol.
Where can I buy o-Mercaptobenzylideneaniline?
You can request a quote for o-Mercaptobenzylideneaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Mercaptobenzylideneaniline?
Yes, KEHONG BIO provides custom synthesis services for o-Mercaptobenzylideneaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.