[[4-(Hydroxymethyl)Phenyl]Methyl-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]Amino]Methanedithioic Acid
[CAS# 127531-17-3]

Identification

• Name: [[4-(Hydroxymethyl)Phenyl]Methyl-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]Amino]Methanedithioic Acid
• Synonyms: [(4-Methylolbenzyl)-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]Amino]Methanedithioic Acid; D-Glucitol, 1-Deoxy-1-((Dithiocarboxy)((4-(Hydroxymethyl)Phenyl)Methyl)Amino)-; N-4-Hydroxymethylbenzylglucamine Dithiocarbamate
• Molecular Formula: C₁₅H₂₃NO₆S₂
• Molecular Weight: 377.47
• CAS Registry Number: 127531-17-3
• SMILES: [C@H](CN(CC1=CC=C(C=C1)CO)C(S)=S)([C@H]([C@@H]([C@@H](CO)O)O)O)O
• InChI: 1S/C15H23NO6S2/c17-7-10-3-1-9(2-4-10)5-16(15(23)24)6-11(19)13(21)14(22)12(20)8-18/h1-4,11-14,17-22H,5-8H2,(H,23,24)/t11-,12+,13+,14+/m0/s1
• InChIKey: XAMXFGPRNKOPIS-REWJHTLYSA-N

Properties

• Density: 1.507g/cm³ (Cal.)
• Boiling point: 686.708°C at 760 mmHg (Cal.)
• Flash point: 369.108°C (Cal.)