5-Thiobredinin
[CAS# 93194-37-7]

Identification

• Name: 5-Thiobredinin
• Synonyms: 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-5-Sulfanyl-Imidazole-4-Carboxamide; 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-5-Mercapto-4-Imidazolecarboxamide; 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetr
• Molecular Formula: C₉H₁₃N₃O₅S
• Molecular Weight: 275.28
• CAS Registry Number: 93194-37-7
• SMILES: [C@@H]1([C@H]([C@@H](O[C@@H]1CO)[N]2C(=C(N=C2)C(=O)N)S)O)O
• InChI: 1S/C9H13N3O5S/c10-7(16)4-9(18)12(2-11-4)8-6(15)5(14)3(1-13)17-8/h2-3,5-6,8,13-15,18H,1H2,(H2,10,16)/t3-,5-,6-,8-/m1/s1
• InChIKey: UAAHUTRMZCQRBF-ZIYNGMLESA-N

Properties

• Density: 2.007g/cm³ (Cal.)
• Boiling point: 718.776°C at 760 mmHg (Cal.)
• Flash point: 388.502°C (Cal.)