Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester)
TL;DR: Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester) (CAS 23545-62-2) is a chemical compound with molecular formula C7H14N2O3S2 and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyanoethylamino)-2-methyl-1-sulfosulfanylpropane
Also Known As: S-(2-((2-Cyanoethyl)amino)-2-methyl)propyl hydrogen thiosulfate, thiosulfuricacids-[2-[amino]-2-methylpropyl]ester, s-{2-[(2-cyanoethyl)amino]-2-methylpropyl} hydrogen sulfurothioate, ThiosulfuricacidS-[2-[ amino]-2-methylpropyl]ester, 2-(2-cyanoethylamino)-2-methyl-1-sulfosulfanylpropane
| Molecular Formula | C7H14N2O3S2 |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.04459 |
| Heavy Atoms | 14 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 23545-62-2 |
|---|---|
| SMILES | CC(C)(CSS(=O)(=O)O)NCCC#N |
| InChIKey | DUDYCTFOKLFKCC-UHFFFAOYSA-N |
Product Overview
Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester) (CAS 23545-62-2), with molecular formula C7H14N2O3S2 and molecular weight 238.04 g/mol. IUPAC: 2-(2-cyanoethylamino)-2-methyl-1-sulfosulfanylpropane.
Chemical Property Profile of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester)
Property Insights of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester)
The XLogP value of -2.9 indicates that Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, 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)-2-methyl-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, 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
Frequently Asked Questions
What is the CAS number of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester)?
The CAS number of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester) is 23545-62-2.
What is the molecular formula of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester)?
The molecular formula of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester) is C7H14N2O3S2.
What is the molecular weight of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester)?
The molecular weight of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester) is 238.04 g/mol.
Where can I buy Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester)?
You can request a quote for Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.