N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine
TL;DR: N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine (CAS 117018-96-9) is a chemical compound with molecular formula C8H15N3O4S2 and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-2-oxopyrrolidine
Also Known As: N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine, Thiosulfuric acid, S-(2-imino-2-((2-(2-oxo-1-pyrrolidinyl)ethyl)amino)ethyl) ester, 1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-2-oxopyrrolidine, S-[(2Z)-2-Amino-2-{[2-(2-oxopyrrolidin-1-yl)ethyl]imino}ethyl] hydrogen sulfurothioate, BRN 5589935
| Molecular Formula | C8H15N3O4S2 |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | -0.498 |
| Topological Polar Surface Area | 113.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.05038 |
| Heavy Atoms | 17 |
| Complexity | 406.99335 |
Chemical Identifiers
| CAS Number | 117018-96-9 |
|---|---|
| SMILES | C1CC(=O)N(C1)CCN=C(CSS(=O)(=O)O)N |
Product Overview
N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine (CAS 117018-96-9), with molecular formula C8H15N3O4S2 and molecular weight 281.05 g/mol. IUPAC: 1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-2-oxopyrrolidine.
Chemical Property Profile of N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine
Property Insights of N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine
The XLogP value of -0.498 indicates that N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine. Following Lipinski's Rule of Five, N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine 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 N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine?
The CAS number of N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine is 117018-96-9.
What is the molecular formula of N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine?
The molecular formula of N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine is C8H15N3O4S2.
What is the molecular weight of N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine?
The molecular weight of N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine is 281.05 g/mol.
Where can I buy N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine?
You can request a quote for N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine?
Yes, KEHONG BIO provides custom synthesis services for N-(beta-(2-Pyrrolidon-1-yl)ethyl)-alpha-thiosulfoacetamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.