Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1)
TL;DR: Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1) (CAS 63679-80-1) is a chemical compound with molecular formula C11H27N3O4S2 and molecular weight 329.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl N,N'-dibutylcarbamimidothioate;sulfuric acid
Also Known As: Pseudourea, 2-thio-, 1,3-di-n-butyl-2-(2-aminoethyl)-, sulfate, 1,3-Di-n-butyl-2-(2-aminoethyl)-isothiouronium sulfate, 2-aminoethyl n,n'-dibutylcarbamimidothioate sulfate(1:1), Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1), 2-aminoethyl N,N'-dibutylcarbamimidothioate; sulfuric acid
| Molecular Formula | C11H27N3O4S2 |
|---|---|
| Molecular Weight | 329.14 g/mol |
| LogP | 1.57 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 329.1443 |
| Heavy Atoms | 20 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 63679-80-1 |
|---|---|
| SMILES | CCCCNC(=NCCCC)SCCN.OS(=O)(=O)O |
| InChIKey | QZOVVHNBJSIHHS-UHFFFAOYSA-N |
Product Overview
Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1) (CAS 63679-80-1), with molecular formula C11H27N3O4S2 and molecular weight 329.14 g/mol. IUPAC: 2-aminoethyl N,N'-dibutylcarbamimidothioate;sulfuric acid.
Chemical Property Profile of Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1)
Property Insights of Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1)
The XLogP value of 1.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1). The TPSA of 159.0 Ų indicates high polarity, suggesting Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1) 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 Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1)?
The CAS number of Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1) is 63679-80-1.
What is the molecular formula of Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1)?
The molecular formula of Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1) is C11H27N3O4S2.
What is the molecular weight of Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1)?
The molecular weight of Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1) is 329.14 g/mol.
Where can I buy Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1)?
You can request a quote for Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Sulfuric acid--2-aminoethyl N,N'-dibutylcarbamimidothioate (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.