S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate
TL;DR: S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate (CAS 4153-67-7) is a chemical compound with molecular formula C11H16N2O3S2 and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1-amino-2-sulfosulfanylethylidene)amino]propylbenzene
Also Known As: S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate, 3-[(1-amino-2-sulfosulfanylethylidene)amino]propylbenzene, 3-[(2-sulfosulfanylethanimidoyl)amino]propylbenzene, 2-Hydroxyethyl acrylate,methyl methacrylate,styrene polymer, S-{(2Z)-2-Amino-2-[(3-phenylpropyl)imino]ethyl} hydrogen sulfurothioate
| Molecular Formula | C11H16N2O3S2 |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.06024 |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 4153-67-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCN=C(CSS(=O)(=O)O)N |
| InChIKey | SXNMJYSGSPCIKA-UHFFFAOYSA-N |
Product Overview
S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate (CAS 4153-67-7), with molecular formula C11H16N2O3S2 and molecular weight 288.06 g/mol. IUPAC: 3-[(1-amino-2-sulfosulfanylethylidene)amino]propylbenzene.
Chemical Property Profile of S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate
Property Insights of S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Imino-2-((3-phenylpropyl)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-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate. Following Lipinski's Rule of Five, S-(2-Imino-2-((3-phenylpropyl)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-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate?
The CAS number of S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate is 4153-67-7.
What is the molecular formula of S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate?
The molecular formula of S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate is C11H16N2O3S2.
What is the molecular weight of S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate?
The molecular weight of S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate is 288.06 g/mol.
Where can I buy S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate?
You can request a quote for S-(2-Imino-2-((3-phenylpropyl)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-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Imino-2-((3-phenylpropyl)amino)ethyl) hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.