Niridazole
[CAS# 61-57-4]

Identification

• Name: Niridazole
• Synonyms: 1-(5-Nitrothiazol-2-Yl)Imidazolidin-2-One; 1-(5-Nitro-2-Thiazolyl)-2-Imidazolidinone; Prestwick1_000469
• Molecular Formula: C₆H₆N₄O₃S
• Molecular Weight: 214.20
• CAS Registry Number: 61-57-4
• EINECS: 200-512-6
• SMILES: C1=C(SC(=N1)N2C(NCC2)=O)[N+](=O)[O-]
• InChI: 1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)
• InChIKey: RDXLYGJSWZYTFJ-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493