o-(((2-Mercaptophenyl)imino)methyl)phenol
TL;DR: o-(((2-Mercaptophenyl)imino)methyl)phenol (CAS 3449-05-6) is a chemical compound with molecular formula C13H11NOS and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfanylbenzenecarboximidoyl)phenol
Also Known As: o-(((2-Mercaptophenyl)imino)methyl)phenol, 2-(2-Sulfanylbenzenecarboximidoyl)phenol, o-[[(2-mercaptophenyl)imino]methyl]phenol, (6Z)-6-[amino-(2-sulfanylphenyl)methylidene]cyclohexa-2,4-dien-1-one, 222-370-4
| Molecular Formula | C13H11NOS |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.05614 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 3449-05-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=N)C2=CC=CC=C2S)O |
| InChIKey | KIFGCWWSXJRZRU-UHFFFAOYSA-N |
Product Overview
o-(((2-Mercaptophenyl)imino)methyl)phenol (CAS 3449-05-6), with molecular formula C13H11NOS and molecular weight 229.06 g/mol. IUPAC: 2-(2-sulfanylbenzenecarboximidoyl)phenol.
Chemical Property Profile of o-(((2-Mercaptophenyl)imino)methyl)phenol
Property Insights of o-(((2-Mercaptophenyl)imino)methyl)phenol
The XLogP value of 3.1 indicates that o-(((2-Mercaptophenyl)imino)methyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.1 Ų, o-(((2-Mercaptophenyl)imino)methyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-(((2-Mercaptophenyl)imino)methyl)phenol has 3 hydrogen bond donor(s) and 3 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-(((2-Mercaptophenyl)imino)methyl)phenol?
The CAS number of o-(((2-Mercaptophenyl)imino)methyl)phenol is 3449-05-6.
What is the molecular formula of o-(((2-Mercaptophenyl)imino)methyl)phenol?
The molecular formula of o-(((2-Mercaptophenyl)imino)methyl)phenol is C13H11NOS.
What is the molecular weight of o-(((2-Mercaptophenyl)imino)methyl)phenol?
The molecular weight of o-(((2-Mercaptophenyl)imino)methyl)phenol is 229.06 g/mol.
Where can I buy o-(((2-Mercaptophenyl)imino)methyl)phenol?
You can request a quote for o-(((2-Mercaptophenyl)imino)methyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-(((2-Mercaptophenyl)imino)methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for o-(((2-Mercaptophenyl)imino)methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.