Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate
TL;DR: Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate (CAS 128487-68-3) is a chemical compound with molecular formula C15H26N2O4S2 and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(1-amino-2-sulfosulfanylethylidene)amino]propyl]-3-hydroxyadamantane
Also Known As: Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate, 1-[3-[(1-amino-2-sulfosulfanylethylidene)amino]propyl]-3-hydroxyadamantane, 3-[3-[(1-amino-2-sulfosulfanyl-ethylidene)amino]propyl]-1-hydroxy-adamantane, S-(2-{[3-(3-Hydroxyadamantan-1-yl)propyl]amino}-2-iminoethyl) hydrogen sulfurothioate, RefChem:385391
| Molecular Formula | C15H26N2O4S2 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 1.9911 |
| Topological Polar Surface Area | 112.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.1334 |
| Heavy Atoms | 23 |
| Complexity | 576.2843 |
Chemical Identifiers
| CAS Number | 128487-68-3 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)O)CCCN=C(CSS(=O)(=O)O)N |
Product Overview
Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate (CAS 128487-68-3), with molecular formula C15H26N2O4S2 and molecular weight 362.13 g/mol. IUPAC: 1-[3-[(1-amino-2-sulfosulfanylethylidene)amino]propyl]-3-hydroxyadamantane.
Chemical Property Profile of Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate
Property Insights of Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate
The XLogP value of 1.9911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate. The TPSA of 112.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate. Following Lipinski's Rule of Five, Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate has 3 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-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate?
The CAS number of Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate is 128487-68-3.
What is the molecular formula of Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate?
The molecular formula of Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate is C15H26N2O4S2.
What is the molecular weight of Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate?
The molecular weight of Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate is 362.13 g/mol.
Where can I buy Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate?
You can request a quote for Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate 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-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Thiosulfuric acid, S-(2-((3-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)propyl)amino)-2-iminoethyl) ester, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.