S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate
TL;DR: S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate (CAS 78128-72-0) is a chemical compound with molecular formula C12H17NO3S2 and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R)-2-[(2-sulfosulfanylethylamino)methyl]cyclopropyl]benzene
Also Known As: S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate, trans-2-((2-Phenylcyclopropyl)methylamino)ethanethiol hydrogen sulfate (ester), Ethanethiol, 2-((2-phenylcyclopropyl)methylamino)-, hydrogen sulfate (ester) (E)-, [(1R,2R)-2-[(2-sulfosulfanylethylamino)methyl]cyclopropyl]benzene, S-(2-{[(2-Phenylcyclopropyl)methyl]amino}ethyl) hydrogen sulfurothioate
| Molecular Formula | C12H17NO3S2 |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 1.9157 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.06497 |
| Heavy Atoms | 18 |
| Complexity | 475.3557 |
Chemical Identifiers
| CAS Number | 78128-72-0 |
|---|---|
| SMILES | C1[C@H]([C@@H]1C2=CC=CC=C2)CNCCSS(=O)(=O)O |
Product Overview
S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate (CAS 78128-72-0), with molecular formula C12H17NO3S2 and molecular weight 287.06 g/mol. IUPAC: [(1R,2R)-2-[(2-sulfosulfanylethylamino)methyl]cyclopropyl]benzene.
Chemical Property Profile of S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate
Property Insights of S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate
The XLogP value of 1.9157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate. Following Lipinski's Rule of Five, S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate has 2 hydrogen bond donor(s) and 4 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-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate?
The CAS number of S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate is 78128-72-0.
What is the molecular formula of S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate?
The molecular formula of S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate is C12H17NO3S2.
What is the molecular weight of S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate?
The molecular weight of S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate is 287.06 g/mol.
Where can I buy S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate?
You can request a quote for S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl 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-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.