N-(2-Methylphenyl)-2-(1-(2,3,4-Trihydroxyphenyl)Ethylidene)-Hydrazinecarbothioamide
[CAS# 69326-89-2]

Identification

• Name: N-(2-Methylphenyl)-2-(1-(2,3,4-Trihydroxyphenyl)Ethylidene)-Hydrazinecarbothioamide
• Synonyms: 3-[[(1E)-1-(2,3-Dihydroxy-4-Keto-1-Cyclohexa-2,5-Dienylidene)Ethyl]Amino]-1-(2-Methylphenyl)Thiourea; N-(2-Methylphenyl)-2-(1-(2,3,4-Trihydroxyphenyl)Ethylidene)Hydrazinecarbothioamide; 4-(2-Tolyl)-1-(2,3,4-Trihydroxyacetophenone)-3-Thiosemicarbazone
• Molecular Formula: C₁₆H₁₇N₃O₃S
• Molecular Weight: 331.39
• CAS Registry Number: 69326-89-2
• SMILES: C2=C(NC(=S)NNC(=C1/C(=C(O)C(=O)C=C1)O)/C)C(=CC=C2)C
• InChI: 1S/C16H17N3O3S/c1-9-5-3-4-6-12(9)17-16(23)19-18-10(2)11-7-8-13(20)15(22)14(11)21/h3-8,18,21-22H,1-2H3,(H2,17,19,23)/b11-10+
• InChIKey: CHYSKWJLQRFEQT-ZHACJKMWSA-N

Properties

• Density: 1.479g/cm³ (Cal.)
• Boiling point: 423.613°C at 760 mmHg (Cal.)
• Flash point: 209.994°C (Cal.)