S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate
TL;DR: S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate (CAS 90379-22-9) is a chemical compound with molecular formula C10H14N2O3S2 and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylbenzene
Also Known As: S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate, 2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylbenzene, 2-[(2-sulfosulfanylethanimidoyl)amino]ethylbenzene, S-{(2Z)-2-amino-2-[(2-phenylethyl)imino]ethyl} hydrogen sulfurothioate
| Molecular Formula | C10H14N2O3S2 |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.0446 |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 90379-22-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN=C(CSS(=O)(=O)O)N |
| InChIKey | OLQAPEZYUYCCTE-UHFFFAOYSA-N |
Product Overview
S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate (CAS 90379-22-9), with molecular formula C10H14N2O3S2 and molecular weight 274.04 g/mol. IUPAC: 2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylbenzene.
Chemical Property Profile of S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate
Property Insights of S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate. Following Lipinski's Rule of Five, S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate 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 S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate?
The CAS number of S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate is 90379-22-9.
What is the molecular formula of S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate?
The molecular formula of S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate is C10H14N2O3S2.
What is the molecular weight of S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate?
The molecular weight of S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate is 274.04 g/mol.
Where can I buy S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate?
You can request a quote for S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Imino-2-((2-phenylethyl)amino)ethyl) hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.