2-巯基苯甲酸甲酯
TL;DR: 2-巯基苯甲酸甲酯 (CAS 4892-02-8) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-巯基苯甲酸甲酯
methyl 2-sulfanylbenzoate
Also Known As: Methyl thiosalicylate, Methyl 2-mercaptobenzoate, Methyl 2-sulfanylbenzoate, Methyl o-mercaptobenzoate, methyl-2-mercaptobenzoate
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 4892-02-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1S |
| InChIKey | BAQGCWNPCFABAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-巯基苯甲酸甲酯 (CAS 4892-02-8), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: methyl 2-sulfanylbenzoate.
Chemical Property Profile of 2-巯基苯甲酸甲酯
Property Insights of 2-巯基苯甲酸甲酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-巯基苯甲酸甲酯. With a topological polar surface area (TPSA) of 27.3 Ų, 2-巯基苯甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-巯基苯甲酸甲酯 has 1 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 2-巯基苯甲酸甲酯?
The CAS number of 2-巯基苯甲酸甲酯 is 4892-02-8.
What is the molecular formula of 2-巯基苯甲酸甲酯?
The molecular formula of 2-巯基苯甲酸甲酯 is C8H8O2S.
What is the molecular weight of 2-巯基苯甲酸甲酯?
The molecular weight of 2-巯基苯甲酸甲酯 is 168.02 g/mol.
Where can I buy 2-巯基苯甲酸甲酯?
You can request a quote for 2-巯基苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-巯基苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2-巯基苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.