Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate
TL;DR: Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate (CAS 63679-63-0) is a chemical compound with molecular formula C6H15N3O4S2 and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl N'-prop-2-enylcarbamimidothioate;sulfuric acid
Also Known As: USAF B-68, 1-Allyl-2-(2-aminoethyl)-isothiouronium sulfate, Pseudourea, 2-thio-, 1-allyl-2-(2-aminoethyl)-, sulfate, Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate, 2-aminoethyl n'-prop-2-en-1-ylcarbamimidothioate sulfate(1:1)
| Molecular Formula | C6H15N3O4S2 |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | -0.47 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.05038 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 63679-63-0 |
|---|---|
| SMILES | C=CCN=C(N)SCCN.OS(=O)(=O)O |
| InChIKey | GDBDVUNPXYJCCT-UHFFFAOYSA-N |
Product Overview
Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate (CAS 63679-63-0), with molecular formula C6H15N3O4S2 and molecular weight 257.05 g/mol. IUPAC: 2-aminoethyl N'-prop-2-enylcarbamimidothioate;sulfuric acid.
Chemical Property Profile of Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate
Property Insights of Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate
The XLogP value of -0.47 indicates that Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate has 4 hydrogen bond donor(s) and 7 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 Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate?
The CAS number of Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate is 63679-63-0.
What is the molecular formula of Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate?
The molecular formula of Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate is C6H15N3O4S2.
What is the molecular weight of Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate?
The molecular weight of Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate is 257.05 g/mol.
Where can I buy Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate?
You can request a quote for Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.