S-(Acetonyl)Glutathione
[CAS# 94120-01-1]

Identification

• Name: S-(Acetonyl)Glutathione
• Synonyms: (2S)-5-[[(1R)-1-(Acetonylsulfanylmethyl)-2-(Carboxymethylamino)-2-Oxo-Ethyl]Amino]-2-Amino-5-Oxo-Pentanoic Acid; (2S)-5-[[(1R)-1-[(Acetonylthio)Methyl]-2-(Carboxymethylamino)-2-Oxoethyl]Amino]-2-Amino-5-Oxopentanoic Acid; (2S)-5-[[(1R)-1-[(Acetonylthio)Meth
• Molecular Formula: C₁₃H₂₁N₃O₇S
• Molecular Weight: 363.38
• CAS Registry Number: 94120-01-1
• SMILES: [C@@H](CSCC(C)=O)(NC(CC[C@@H](C(O)=O)N)=O)C(NCC(O)=O)=O
• InChI: 1S/C13H21N3O7S/c1-7(17)5-24-6-9(12(21)15-4-11(19)20)16-10(18)3-2-8(14)13(22)23/h8-9H,2-6,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t8-,9-/m0/s1
• InChIKey: PZMYLNAHJKAZLX-IUCAKERBSA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 787.687°C at 760 mmHg (Cal.)
• Flash point: 430.178°C (Cal.)