Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt
TL;DR: Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt (CAS 71605-61-3) is a chemical compound with molecular formula C9H10N3Na2O3PS2 and molecular weight 348.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;[2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfidoethyl]-hydroxyphosphinate
Also Known As: Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt, disodium [2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfidoethyl]-hydroxyphosphinate, disodium,[2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfidoethyl]-hydroxyphosphinate, disodium;[2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfidoethyl]-hydroxyphosphinate, Ethanethiol,2-[(2,1,3-benzothiadiazol-4-ylmethyl)amino]-, dihydrogen phosphate (ester),disodium salt (9CI)
| Molecular Formula | C9H10N3Na2O3PS2 |
|---|---|
| Molecular Weight | 348.97 g/mol |
| LogP | -5.7924 |
| Topological Polar Surface Area | 98.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.96967 |
| Heavy Atoms | 20 |
| Complexity | 594.5764 |
Chemical Identifiers
| CAS Number | 71605-61-3 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)CNCC(P(=O)(O)[O-])[S-].[Na+].[Na+] |
Product Overview
Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt (CAS 71605-61-3), with molecular formula C9H10N3Na2O3PS2 and molecular weight 348.97 g/mol. IUPAC: disodium;[2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfidoethyl]-hydroxyphosphinate.
Chemical Property Profile of Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt
Property Insights of Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt
The XLogP value of -5.7924 indicates that Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt has 2 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 Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt?
The CAS number of Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt is 71605-61-3.
What is the molecular formula of Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt?
The molecular formula of Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt is C9H10N3Na2O3PS2.
What is the molecular weight of Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt?
The molecular weight of Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt is 348.97 g/mol.
Where can I buy Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt?
You can request a quote for Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.