Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1)
TL;DR: Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1) (CAS 63679-94-7) is a chemical compound with molecular formula C9H15N3O5S2 and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl N'-(4-hydroxyphenyl)carbamimidothioate;sulfuric acid
Also Known As: 1-(p-Hydroxyphenyl)-2-(2-aminoethyl)isothiouronium sulfate, 2-aminoethyl n'-(4-hydroxyphenyl)carbamimidothioate sulfate(1:1), Pseudourea, 2-(2-aminoethyl)-1-(p-hydroxyphenyl)-2-thio-, hydrogen sulfate, Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1), 2-aminoethyl N'-(4-hydroxyphenyl)carbamimidothioate; sulfuric acid
| Molecular Formula | C9H15N3O5S2 |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 0.38 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.04532 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 63679-94-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C(N)SCCN)O.OS(=O)(=O)O |
| InChIKey | FKQNRBWLTYHIJJ-UHFFFAOYSA-N |
Product Overview
Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1) (CAS 63679-94-7), with molecular formula C9H15N3O5S2 and molecular weight 309.05 g/mol. IUPAC: 2-aminoethyl N'-(4-hydroxyphenyl)carbamimidothioate;sulfuric acid.
Chemical Property Profile of Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1)
Property Insights of Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1)
The XLogP value of 0.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1). The TPSA of 193.0 Ų indicates high polarity, suggesting Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1) has 5 hydrogen bond donor(s) and 8 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-(4-hydroxyphenyl)carbamimidothioate (1/1)?
The CAS number of Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1) is 63679-94-7.
What is the molecular formula of Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1)?
The molecular formula of Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1) is C9H15N3O5S2.
What is the molecular weight of Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1)?
The molecular weight of Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1) is 309.05 g/mol.
Where can I buy Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1)?
You can request a quote for Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (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-(4-hydroxyphenyl)carbamimidothioate (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Sulfuric acid--2-aminoethyl N-(4-hydroxyphenyl)carbamimidothioate (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.