Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester)
TL;DR: Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester) (CAS 23545-61-1) is a chemical compound with molecular formula C6H12N2O3S2 and molecular weight 224.02893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-cyanoethylamino)-1-sulfosulfanylpropane
Also Known As: S-2-((2-Cyanoethyl)amino)propyl hydrogen thiosulfate, 2-(2-cyanoethylamino)-1-sulfosulfanylpropane, s-{2-[(2-cyanoethyl)amino]propyl} hydrogen sulfurothioate, Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester), ({2-[(2-cyanoethyl)amino]propyl}sulfanyl)sulfonic acid
Technical Specifications
| Molecular Formula | C6H12N2O3S2 |
| Molecular Weight | 224.02893 g/mol |
| XLogP | -3.0 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.02893 Da |
| Heavy Atoms | 13 |
| Complexity | 274.0 |
| SMILES | CC(CSS(=O)(=O)O)NCCC#N |
| InChIKey | WRNWIYJRUVWHFF-UHFFFAOYSA-N |
Chemical Property Profile of Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester)
Property Insights of Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester)
The XLogP value of -3.0 indicates that Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester) 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
What is the CAS number of Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester)?
The CAS number of Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester) is 23545-61-1.
What is the molecular formula of Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester)?
The molecular formula of Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester) is C6H12N2O3S2.
What is the molecular weight of Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester)?
The molecular weight of Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester) is 224.02893 g/mol.
Where can I buy Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester)?
You can request a quote for Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester)?
Yes, CoreyChem provides custom synthesis services for Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.