Disodium 1-(Hydroxy-Oxido-Phosphoryl)-2-(8-Thia-7,9-Diazabicyclo[4.3.0 ]Nona-2,4,6,9-Tetraen-2-Ylmethylamino)Ethanethiolate
[CAS# 71605-61-3]

Identification

• Name: Disodium 1-(Hydroxy-Oxido-Phosphoryl)-2-(8-Thia-7,9-Diazabicyclo[4.3.0 ]Nona-2,4,6,9-Tetraen-2-Ylmethylamino)Ethanethiolate
• Synonyms: Disodium [2-(2,1,3-Benzothiadiazol-7-Ylmethylamino)-1-Sulfido-Ethyl]-Hydroxy-Phosphinate; Disodium Hydroxy-[2-(Piazthiol-4-Ylmethylamino)-1-Sulfido-Ethyl]Phosphinate; Phosphorothioic Acid, S-(2-((2,1,3-Benzothia(S(Sup Iv))Diazol-4-Yl)Methylamino)Ethyl)Ester, Disodium Salt
• Molecular Formula: C₉H₁₀N₃Na₂O₃PS₂
• Molecular Weight: 349.27
• CAS Registry Number: 71605-61-3
• SMILES: C1=CC=C(C2=NSN=C12)CNCC([S-])[P]([O-])(=O)O.[Na+].[Na+]
• InChI: 1S/C9H12N3O3PS2.2Na/c13-16(14,15)8(17)5-10-4-6-2-1-3-7-9(6)12-18-11-7;;/h1-3,8,10,17H,4-5H2,(H2,13,14,15);;/q;2*+1/p-2
• InChIKey: IXHADNWJDSPYOY-UHFFFAOYSA-L

Properties

• Boiling point: 526.6°C at 760 mmHg (Cal.)
• Flash point: 272.3°C (Cal.)