2-(2,5-Dioxo-Hexahydro-Imidazo[4,5-d]Imidazol-1-Yl)-4-Methylsulfanyl-Butyric Acid
[CAS# 436811-14-2]

Identification

• Name: 2-(2,5-Dioxo-Hexahydro-Imidazo[4,5-d]Imidazol-1-Yl)-4-Methylsulfanyl-Butyric Acid
• Synonyms: (2S)-2-[(3As,6As)-2,5-Dioxo-3A,4,6,6A-Tetrahydro-3H-Imidazo[5,4-D]Imidazol-1-Yl]-4-Methylsulfanyl-Butanoate; (2S)-2-[(3As,6As)-2,5-Dioxo-3A,4,6,6A-Tetrahydro-3H-Imidazo[5,4-D]Imidazol-1-Yl]-4-(Methylthio)Butanoate; (2S)-2-[(3As,6As)-2,5-Diketo-3A,4,6,6A-Tetrahydro-3H-Imidazo[5,4-D]Imidazol-1-Yl]-4-(Methylthio)Butyrate
• Molecular Formula: C₉H₁₃N₄O₄S
• Molecular Weight: 273.29
• CAS Registry Number: 436811-14-2
• SMILES: [C@H]12N([C@H](C([O-])=O)CCSC)C(=O)N[C@@H]1NC(=O)N2
• InChI: 1S/C9H14N4O4S/c1-18-3-2-4(7(14)15)13-6-5(11-9(13)17)10-8(16)12-6/h4-6H,2-3H2,1H3,(H,11,17)(H,14,15)(H2,10,12,16)/p-1/t4-,5-,6-/m0/s1
• InChIKey: ZIJZHICDZSWHSK-ZLUOBGJFSA-M

Properties

• Boiling point: 790.009°C at 760 mmHg (Cal.)
• Flash point: 431.582°C (Cal.)