Pseudourea, 2-aminoethyl-2-thio-, dinitrate
TL;DR: Pseudourea, 2-aminoethyl-2-thio-, dinitrate (CAS 3314-99-6) is a chemical compound with molecular formula C3H11N5O6S and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl carbamimidothioate;bis(nitric acid)
Also Known As: 2-Aminoethylisothiouronium dinitrate, Pseudourea, 2-aminoethyl-2-thio-, dinitrate, Pseudourea, 2-thio-, 2-aminoethyl-, dinitrate, 2-aminoethyl carbamimidothioate; nitric acid, Carbamidiothioic acid, 2-aminoethyl ester, dinitrate
| Molecular Formula | C3H11N5O6S |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | -1.12363 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.043 |
| Heavy Atoms | 15 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 3314-99-6 |
|---|---|
| SMILES | C(CSC(=N)N)N.[N+](=O)(O)[O-].[N+](=O)(O)[O-] |
| InChIKey | AMIMGDJGUPWRAQ-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-aminoethyl-2-thio-, dinitrate (CAS 3314-99-6), with molecular formula C3H11N5O6S and molecular weight 245.04 g/mol. IUPAC: 2-aminoethyl carbamimidothioate;bis(nitric acid).
Chemical Property Profile of Pseudourea, 2-aminoethyl-2-thio-, dinitrate
Property Insights of Pseudourea, 2-aminoethyl-2-thio-, dinitrate
The XLogP value of -1.12363 indicates that Pseudourea, 2-aminoethyl-2-thio-, dinitrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting Pseudourea, 2-aminoethyl-2-thio-, dinitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 2-aminoethyl-2-thio-, dinitrate has 5 hydrogen bond donor(s) and 9 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, 2-aminoethyl-2-thio-, dinitrate?
The CAS number of Pseudourea, 2-aminoethyl-2-thio-, dinitrate is 3314-99-6.
What is the molecular formula of Pseudourea, 2-aminoethyl-2-thio-, dinitrate?
The molecular formula of Pseudourea, 2-aminoethyl-2-thio-, dinitrate is C3H11N5O6S.
What is the molecular weight of Pseudourea, 2-aminoethyl-2-thio-, dinitrate?
The molecular weight of Pseudourea, 2-aminoethyl-2-thio-, dinitrate is 245.04 g/mol.
Where can I buy Pseudourea, 2-aminoethyl-2-thio-, dinitrate?
You can request a quote for Pseudourea, 2-aminoethyl-2-thio-, dinitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-aminoethyl-2-thio-, dinitrate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-aminoethyl-2-thio-, dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.