Sodium S-(2-{[2-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)Ethyl]Amino}Ethyl) Hydrogen Phosphorothioate
[CAS# 31327-86-3]

Identification

• Name: Sodium S-(2-{[2-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)Ethyl]Amino}Ethyl) Hydrogen Phosphorothioate
• Synonyms: 2-(2-Phthalimidoethylamino)ethanethiol monosodium phosphate (ester), hexahydrate; Ethanethiol, 2-(2-phthalimidoethylamino)-, monosodium phosphate (ester), hexahydrate; N-(2-(2-Mercaptoethylamino)ethyl)phthalimide, monosodium phosphate (ester), hexahydrate
• Molecular Formula: C₁₂H₁₄N₂NaO₅PS
• Molecular Weight: 352.28
• CAS Registry Number: 31327-86-3
• SMILES: [Na+].[O-]P(=O)(O)SCCNCCN2C(=O)c1ccccc1C2=O
• InChI: 1S/C12H15N2O5PS.Na/c15-11-9-3-1-2-4-10(9)12(16)14(11)7-5-13-6-8-21-20(17,18)19;/h1-4,13H,5-8H2,(H2,17,18,19);/q;+1/p-1
• InChIKey: XMHYBTWKIGDWCX-UHFFFAOYSA-M

Properties

• Boiling point: 587.1°C at 760 mmHg (Cal.)
• Flash point: 308.9°C (Cal.)