Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester
TL;DR: Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester (CAS 51116-92-8) is a chemical compound with molecular formula C5H13N2O4PS and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy(hydroxy)phosphoryl]oxyethyl carbamimidothioate
Also Known As: (2-Amidinothioethyl) ethylphosphate, 2-{[ethoxy(hydroxy)phosphoryl]oxy}ethyl carbamimidothioate, 2-(Formamidine-thio) ethyl ester of ethylphosphoric acid, Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester, Pseudourea, 2-(2-hydroxyethyl)-2-thio-, ethylphosphite (ester)
| Molecular Formula | C5H13N2O4PS |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.03337 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 51116-92-8 |
|---|---|
| SMILES | CCOP(=O)(O)OCCSC(=N)N |
| InChIKey | XCBIEFSRDPVOJD-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester (CAS 51116-92-8), with molecular formula C5H13N2O4PS and molecular weight 228.03 g/mol. IUPAC: 2-[ethoxy(hydroxy)phosphoryl]oxyethyl carbamimidothioate.
Chemical Property Profile of Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester
Property Insights of Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester
The XLogP value of -0.7 indicates that Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester. Following Lipinski's Rule of Five, Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester has 3 hydrogen bond donor(s) and 6 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 Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester?
The CAS number of Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester is 51116-92-8.
What is the molecular formula of Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester?
The molecular formula of Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester is C5H13N2O4PS.
What is the molecular weight of Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester?
The molecular weight of Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester is 228.03 g/mol.
Where can I buy Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester?
You can request a quote for Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, O-(2-amidinothioethyl) O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.