Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester
TL;DR: Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester (CAS 2218-01-1) is a chemical compound with molecular formula C8H11NO3S2 and molecular weight 233.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-1-sulfosulfanylethyl)benzene
Also Known As: 1-Phenyl-2-aminoethylthiosulfuric acid, (2-amino-1-sulfosulfanylethyl)benzene, Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester, Thiosulfuric acid, S-(2-amino-1-phenylethyl) ester, S-(2-Amino-1-phenylethyl) hydrogen sulfurothioate
| Molecular Formula | C8H11NO3S2 |
|---|---|
| Molecular Weight | 233.02 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.01804 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 2218-01-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CN)SS(=O)(=O)O |
| InChIKey | MWCUFZKVASOIHQ-UHFFFAOYSA-N |
Product Overview
Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester (CAS 2218-01-1), with molecular formula C8H11NO3S2 and molecular weight 233.02 g/mol. IUPAC: (2-amino-1-sulfosulfanylethyl)benzene.
Chemical Property Profile of Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester
Property Insights of Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester
The XLogP value of -2.1 indicates that Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester. Following Lipinski's Rule of Five, Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester has 2 hydrogen bond donor(s) and 5 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 Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester?
The CAS number of Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester is 2218-01-1.
What is the molecular formula of Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester?
The molecular formula of Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester is C8H11NO3S2.
What is the molecular weight of Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester?
The molecular weight of Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester is 233.02 g/mol.
Where can I buy Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester?
You can request a quote for Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.