1,5-Dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one hydrobromide (1:1)
[CAS# 87236-33-7]

Identification

• Name: 1,5-Dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one hydrobromide (1:1)
• Synonyms: 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-((5-methyl-1H-1,2,4-triazol-3-yl)thio)-2-phenyl-, monohydrobromide; 4-((5-Methyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide; Antipyrine, 4-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrobromide
• Molecular Formula: C₁₄H₁₆BrN₅OS
• Molecular Weight: 382.28
• CAS Registry Number: 87236-33-7
• SMILES: Br.O=C2C(\Sc1nc(nn1)C)=C(/N(N2c3ccccc3)C)C
• InChI: 1S/C14H15N5OS.BrH/c1-9-12(21-14-15-10(2)16-17-14)13(20)19(18(9)3)11-7-5-4-6-8-11;/h4-8H,1-3H3,(H,15,16,17);1H
• InChIKey: XOJOECIKVVNZAN-UHFFFAOYSA-N

Properties

• Boiling point: 493.9°C at 760 mmHg (Cal.)
• Flash point: 252.5°C (Cal.)