Methyl 2-(aminothio)benzoate
TL;DR: Methyl 2-(aminothio)benzoate (CAS 94266-24-7) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-aminosulfanylbenzoate
Also Known As: Methyl 2-(aminothio)benzoate, methyl 2-aminosulfanylbenzoate, METHYL2- BENZOATE, ChemDiv2_003448, methyl 2-sulfenamoylbenzoate
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 1.439 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 288.14127 |
Chemical Identifiers
| CAS Number | 94266-24-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SN |
Product Overview
Methyl 2-(aminothio)benzoate (CAS 94266-24-7), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: methyl 2-aminosulfanylbenzoate.
Chemical Property Profile of Methyl 2-(aminothio)benzoate
Property Insights of Methyl 2-(aminothio)benzoate
The XLogP value of 1.439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(aminothio)benzoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 2-(aminothio)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(aminothio)benzoate has 1 hydrogen bond donor(s) and 4 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 Methyl 2-(aminothio)benzoate?
The CAS number of Methyl 2-(aminothio)benzoate is 94266-24-7.
What is the molecular formula of Methyl 2-(aminothio)benzoate?
The molecular formula of Methyl 2-(aminothio)benzoate is C8H9NO2S.
What is the molecular weight of Methyl 2-(aminothio)benzoate?
The molecular weight of Methyl 2-(aminothio)benzoate is 183.04 g/mol.
Where can I buy Methyl 2-(aminothio)benzoate?
You can request a quote for Methyl 2-(aminothio)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(aminothio)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(aminothio)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.