2-((2-((Methylamino)Methyl)Phenyl)Thio)-1,4-Benzenediol (Z)-2-Butenedi Oate (1:1) (Salt)
[CAS# 127906-41-6]

Identification

• Name: 2-((2-((Methylamino)Methyl)Phenyl)Thio)-1,4-Benzenediol (Z)-2-Butenedi Oate (1:1) (Salt)
• Synonyms: 2-((2-((Methylamino)Methyl)Phenyl)Thio)-1,4-Benzenediol (Z)-2-Butenedioate (1:1) (Salt)
• Molecular Formula: C₁₈H₁₉NO₆S
• Molecular Weight: 377.41
• CAS Registry Number: 127906-41-6
• SMILES: C2=C(SC1=CC=CC=C1CNC)C(=CC=C2O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C14H15NO2S.C4H4O4/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17;5-3(6)1-2-4(7)8/h2-8,15-17H,9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: AGYMFYABMLHWEH-WLHGVMLRSA-N

Properties

• Boiling point: 418.9°C at 760 mmHg (Cal.)
• Flash point: 207.1°C (Cal.)