[[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]-(Phenylmethyl)Amino]Methanedithioic Acid Sodium salt
[CAS# 102996-80-5]

Identification

• Name: [[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]-(Phenylmethyl)Amino]Methanedithioic Acid Sodium salt
• Synonyms: Sodium [Benzyl-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]Amino]Methanedithioic Acid; 1-Deoxy-1-((Dithiocarboxy)(Phenylmethyl)Amino)-D-Glucitol Monosodium Salt Hydrate; 1-Deoxy-1-((Dithiocarboxy)(Phenylmethyl)Amino)-D-Glucitol Monosodium Salt Monohydrate
• Molecular Formula: C₁₄H₂₁NNaO₅S₂
• Molecular Weight: 370.43
• CAS Registry Number: 102996-80-5 (110771-92-1)
• SMILES: [C@@H](O)([C@@H](O)CN(CC1=CC=CC=C1)C(=S)S)[C@H](O)[C@H](O)CO.[Na+]
• InChI: 1S/C14H21NO5S2.Na/c16-8-11(18)13(20)12(19)10(17)7-15(14(21)22)6-9-4-2-1-3-5-9;/h1-5,10-13,16-20H,6-8H2,(H,21,22);/q;+1/t10-,11+,12+,13+;/m0./s1
• InChIKey: BKOVQKBWCURYNR-VXERAZRLSA-N

Properties

• Boiling point: 625.9°C at 760 mmHg (Cal.)
• Flash point: 332.3°C (Cal.)