Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester) (CAS 22059-34-3) is a chemical compound with molecular formula C5H13N3O3S2 and molecular weight 227.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[amino(ethylamino)methylidene]amino]-2-sulfosulfanylethane
Also Known As: 2-(3-Ethyl)guanidinoethanethiol hydrogen sulfate (ester), 2-(1-Ethyl)guanidinoethanethiol hydrogen sulfate (ester), Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester), Ethanethiol, 2-(1-ethyl)guanidino-, hydrogen sulfate (ester), {[2-(N'-ethylcarbamimidamido)ethyl]sulfanyl}sulfonic acid
| Molecular Formula | C5H13N3O3S2 |
|---|---|
| Molecular Weight | 227.04 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.03984 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 22059-34-3 |
|---|---|
| SMILES | CCNC(=NCCSS(=O)(=O)O)N |
| InChIKey | MZRMNCMJRSKSTF-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester) (CAS 22059-34-3), with molecular formula C5H13N3O3S2 and molecular weight 227.04 g/mol. IUPAC: 1-[[amino(ethylamino)methylidene]amino]-2-sulfosulfanylethane.
Chemical Property Profile of Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester)
The XLogP value of -1.2 indicates that Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester) has 3 hydrogen bond donor(s) and 5 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 Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester) is 22059-34-3.
What is the molecular formula of Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester) is C5H13N3O3S2.
What is the molecular weight of Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester) is 227.04 g/mol.
Where can I buy Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(3-ethyl)guanidino-, 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 Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.