2,6-Ditert-Butyl-4-(5-Sulfanylidene-4H-1,3,4-Thiadiazol-2-Yl)Phenolate; 2-Hydroxyethyl-Trimethylazanium
[CAS# 130116-16-4]

Identification

• Name: 2,6-Ditert-Butyl-4-(5-Sulfanylidene-4H-1,3,4-Thiadiazol-2-Yl)Phenolate; 2-Hydroxyethyl-Trimethylazanium
• Synonyms: 2,6-Ditert-Butyl-4-(5-Thioxo-4H-1,3,4-Thiadiazol-2-Yl)Phenolate; 2-Hydroxyethyl-Trimethyl-Ammonium; 2,6-Ditert-Butyl-4-(5-Thioxo-4H-1,3,4-Thiadiazol-2-Yl)Phenolate; 2-Hydroxyethyl-Trimethylammonium; 2,6-Ditert-Butyl-4-(5-Sulfanylidene-4H-1,3,4-Thiadiazol-2-Yl)Phenolate; 2-Hydroxyethyl-Trimethyl-Azanium
• Molecular Formula: C₂₁H₃₅N₃O₂S₂
• Molecular Weight: 425.65
• CAS Registry Number: 130116-16-4
• SMILES: C1=C(C(=C(C=C1C2=NNC(S2)=S)C(C)(C)C)[O-])C(C)(C)C.C([N+](C)(C)C)CO
• InChI: 1S/C16H22N2OS2.C5H14NO/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6;1-6(2,3)4-5-7/h7-8,19H,1-6H3,(H,18,20);7H,4-5H2,1-3H3/q;+1/p-1
• InChIKey: BIZSVVIRPJXFOI-UHFFFAOYSA-M

Properties

• Boiling point: 397.4°C at 760 mmHg (Cal.)
• Flash point: 194.1°C (Cal.)