4-((2-((Dimethylamino)Methyl)Phenyl)Thio)-1,2-Benzenediol (Z)-2-Butenedioate (1:1) (Salt)
[CAS# 127906-30-3]

Identification

• Name: 4-((2-((Dimethylamino)Methyl)Phenyl)Thio)-1,2-Benzenediol (Z)-2-Butenedioate (1:1) (Salt)
• Synonyms: But-2-Enedioic Acid; 4-[[2-(Dimethylaminomethyl)Phenyl]Thio]Benzene-1,2-Diol; But-2-Enedioic Acid; 4-[[2-(Dimethylaminomethyl)Phenyl]Thio]Pyrocatechol; 1,2-Benzenediol, 4-((2-((Dimethylamino)Methyl)Phenyl)Thio)-, (Z)-2-Butenedioate (1:1) (Salt)
• Molecular Formula: C₁₉H₂₁NO₆S
• Molecular Weight: 391.44
• CAS Registry Number: 127906-30-3
• SMILES: C1=C(O)C(=CC=C1SC2=CC=CC=C2CN(C)C)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C15H17NO2S.C4H4O4/c1-16(2)10-11-5-3-4-6-15(11)19-12-7-8-13(17)14(18)9-12;5-3(6)1-2-4(7)8/h3-9,17-18H,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: ADBUBJFAFBGQIB-WLHGVMLRSA-N

Properties

• Boiling point: 427°C at 760 mmHg (Cal.)
• Flash point: 212°C (Cal.)