Bis(Methylthio)Gliotoxin
[CAS# 74149-38-5]

Identification

• Name: Bis(Methylthio)Gliotoxin
• Synonyms: (3R,5As,6S,10Ar)-6-Hydroxy-3-(Hydroxymethyl)-2-Methyl-3,10A-Bis(Methylthio)-6,10-Dihydro-5Ah-Pyrazino[1,6-A]Indole-1,4-Dione; (3R,5As,6S,10Ar)-6-Hydroxy-2-Methyl-3-Methylol-3,10A-Bis(Methylthio)-6,10-Dihydro-5Ah-Pyrazino[4,3-A]Indole-1,4-Quinone; Pyrazino(1,2-A)Indole-1,4-Dione, 2,3,5A,6,10,10A-Hexahydro-6-Hydroxy-3-(Hydroxymethyl)-2-Methyl-3,10A-Bis(Methylthio)-, (3R-(3Alpha,5Abeta,6Beta,10Aalpha))-
• Molecular Formula: C₁₅H₂₀N₂O₄S₂
• Molecular Weight: 356.45
• CAS Registry Number: 74149-38-5
• SMILES: [C@]23(SC)N([C@H]1C(=CC=C[C@@H]1O)C2)C(=O)[C@@](N(C3=O)C)(CO)SC
• InChI: 1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1
• InChIKey: OVBAGMZLGLXSBN-UOVKNHIHSA-N

Properties

• Density: 1.499g/cm³ (Cal.)
• Boiling point: 669.616°C at 760 mmHg (Cal.)
• Flash point: 358.771°C (Cal.)