2-Mercaptobenzaldehyde
TL;DR: 2-Mercaptobenzaldehyde (CAS 29199-11-9) is a chemical compound with molecular formula C7H6OS and molecular weight 138.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylbenzaldehyde
Also Known As: 2-sulfanylbenzaldehyde, 2-MERCAPTOBENZALDEHYDE, thiosalicylaldehyde, 2-formylthiophenol, Benzaldehyde,2-mercapto-
| Molecular Formula | C7H6OS |
|---|---|
| Molecular Weight | 138.01 g/mol |
| LogP | 1.7878 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.01393 |
| Heavy Atoms | 9 |
| Complexity | 219.91107 |
Chemical Identifiers
| CAS Number | 29199-11-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=O)S |
Product Overview
2-Mercaptobenzaldehyde (CAS 29199-11-9), with molecular formula C7H6OS and molecular weight 138.01 g/mol. IUPAC: 2-sulfanylbenzaldehyde.
Chemical Property Profile of 2-Mercaptobenzaldehyde
Property Insights of 2-Mercaptobenzaldehyde
The XLogP value of 1.7878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercaptobenzaldehyde. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Mercaptobenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptobenzaldehyde 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-Mercaptobenzaldehyde?
The CAS number of 2-Mercaptobenzaldehyde is 29199-11-9.
What is the molecular formula of 2-Mercaptobenzaldehyde?
The molecular formula of 2-Mercaptobenzaldehyde is C7H6OS.
What is the molecular weight of 2-Mercaptobenzaldehyde?
The molecular weight of 2-Mercaptobenzaldehyde is 138.01 g/mol.
Where can I buy 2-Mercaptobenzaldehyde?
You can request a quote for 2-Mercaptobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.