2-(Methylsulfanyl)ethanamine benzoate(1:1)
TL;DR: 2-(Methylsulfanyl)ethanamine benzoate(1:1) (CAS 90110-69-3) is a chemical compound with molecular formula C10H15NO2S and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoic acid;2-methylsulfanylethanamine
Also Known As: 2-(methylsulfanyl)ethanamine benzoate(1:1), benzoic acid; 2-methylsulfanylethanamine, benzoic acid,2-methylsulfanylethanamine, 2-METHYLMERCAPTOETHYLAMINE BENZOATE, Benzoic acid--2-(methylsulfanyl)ethan-1-amine (1/1)
| Molecular Formula | C10H15NO2S |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 1.6929 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.08235 |
| Heavy Atoms | 14 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 90110-69-3 |
|---|---|
| SMILES | CSCCN.C1=CC=C(C=C1)C(=O)O |
| InChIKey | PXQOIGMZILMVEB-UHFFFAOYSA-N |
Product Overview
2-(Methylsulfanyl)ethanamine benzoate(1:1) (CAS 90110-69-3), with molecular formula C10H15NO2S and molecular weight 213.08 g/mol. IUPAC: benzoic acid;2-methylsulfanylethanamine.
Chemical Property Profile of 2-(Methylsulfanyl)ethanamine benzoate(1:1)
Property Insights of 2-(Methylsulfanyl)ethanamine benzoate(1:1)
The XLogP value of 1.6929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfanyl)ethanamine benzoate(1:1). The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylsulfanyl)ethanamine benzoate(1:1). Following Lipinski's Rule of Five, 2-(Methylsulfanyl)ethanamine benzoate(1:1) has 2 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 2-(Methylsulfanyl)ethanamine benzoate(1:1)?
The CAS number of 2-(Methylsulfanyl)ethanamine benzoate(1:1) is 90110-69-3.
What is the molecular formula of 2-(Methylsulfanyl)ethanamine benzoate(1:1)?
The molecular formula of 2-(Methylsulfanyl)ethanamine benzoate(1:1) is C10H15NO2S.
What is the molecular weight of 2-(Methylsulfanyl)ethanamine benzoate(1:1)?
The molecular weight of 2-(Methylsulfanyl)ethanamine benzoate(1:1) is 213.08 g/mol.
Where can I buy 2-(Methylsulfanyl)ethanamine benzoate(1:1)?
You can request a quote for 2-(Methylsulfanyl)ethanamine benzoate(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfanyl)ethanamine benzoate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)ethanamine benzoate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.