Phthiobuzone
[CAS# 79512-50-8]

Identification

• Name: Phthiobuzone
• Synonyms: [[1-(Carbamothioylhydrazinylidene)-3-(1,3-Dioxoisoindol-2-Yl)Butan-2-Ylidene]Amino]Thiourea; [[1-[(Carbamothioylhydrazono)Methyl]-2-(1,3-Dioxoisoindolin-2-Yl)Propylidene]Amino]Thiourea; [[1-[(E)-(Carbamothioylhydrazono)Methyl]-2-(1,3-Dioxoisoindolin-2-Yl)Propylidene]Amino]Thiourea
• Molecular Formula: C₁₄H₁₅N₇O₂S₂
• Molecular Weight: 377.44
• CAS Registry Number: 79512-50-8
• SMILES: C1=CC=CC2=C1C(N(C(C)C(\C=N\NC(N)=S)=N\NC(N)=S)C2=O)=O
• InChI: 1S/C14H15N7O2S2/c1-7(10(18-20-14(16)25)6-17-19-13(15)24)21-11(22)8-4-2-3-5-9(8)12(21)23/h2-7H,1H3,(H3,15,19,24)(H3,16,20,25)/b17-6+,18-10+
• InChIKey: OPXFZJLGAZHBMA-BUOGMGTNSA-N

Properties

• Density: 1.605g/cm³ (Cal.)
• Boiling point: 581.429°C at 760 mmHg (Cal.)
• Flash point: 305.437°C (Cal.)