2-Gluthionyl-3,5,6-Trichloro-1,4-Benzoquinone
[CAS# 117383-28-5]

Identification

• Name: 2-Gluthionyl-3,5,6-Trichloro-1,4-Benzoquinone
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-2-Oxo-1-[(2,4,5-Trichloro-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)Sulfanylmethyl]Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-2-Oxo-1-[[(2,4,5-Trichloro-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)Thio]Methyl]Ethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-2-Keto-1-[[(2,4,5-Trichloro-3,6-Diketo-1-Cyclohexa-1,4-Dienyl)Thio]Methyl]Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₆H₁₆Cl₃N₃O₈S
• Molecular Weight: 516.74
• CAS Registry Number: 117383-28-5
• SMILES: [C@H](NC(=O)CC[C@H](N)C(=O)O)(CSC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl)C(=O)NCC(=O)O
• InChI: 1S/C16H16Cl3N3O8S/c17-9-10(18)13(27)14(11(19)12(9)26)31-4-6(15(28)21-3-8(24)25)22-7(23)2-1-5(20)16(29)30/h5-6H,1-4,20H2,(H,21,28)(H,22,23)(H,24,25)(H,29,30)/t5-,6-/m0/s1
• InChIKey: WGAYQHYSLBCCLN-WDSKDSINSA-N

Properties

• Density: 1.702g/cm³ (Cal.)
• Boiling point: 847.553°C at 760 mmHg (Cal.)
• Flash point: 466.384°C (Cal.)