S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate
TL;DR: S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate (CAS 21224-68-0) is a chemical compound with molecular formula C11H17NO4S2 and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-sulfosulfanylethylamino)propoxybenzene
Also Known As: 3-(2-sulfosulfanylethylamino)propoxybenzene, S-2-((3-Phenoxypropyl)amino)ethyl thiosulfate, 2-(3-phenoxypropyl)aminoethanethiol sulfate, 2-(2-Phenoxypropyl)aminoethanethiol hydrogen sulfate (ester), s-{2-[(3-phenoxypropyl)amino]ethyl} hydrogen sulfurothioate
| Molecular Formula | C11H17NO4S2 |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 291.0599 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 21224-68-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCNCCSS(=O)(=O)O |
| InChIKey | GNNDJXZJUQHATP-UHFFFAOYSA-N |
Product Overview
S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate (CAS 21224-68-0), with molecular formula C11H17NO4S2 and molecular weight 291.06 g/mol. IUPAC: 3-(2-sulfosulfanylethylamino)propoxybenzene.
Chemical Property Profile of S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate
Property Insights of S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate
The XLogP value of -1.1 indicates that S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate. Following Lipinski's Rule of Five, S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate has 2 hydrogen bond donor(s) and 6 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-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate?
The CAS number of S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate is 21224-68-0.
What is the molecular formula of S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate?
The molecular formula of S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate is C11H17NO4S2.
What is the molecular weight of S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate?
The molecular weight of S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate is 291.06 g/mol.
Where can I buy S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate?
You can request a quote for S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-((3-Phenoxypropyl)amino)ethyl) hydrogen sulfurothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.