3-[(3,5-Ditert-Butyl-4-Hydroxyphenyl)Methyl]-1,3-Benzothiazole-2-Thione
[CAS# 105247-17-4]

Identification

• Name: 3-[(3,5-Ditert-Butyl-4-Hydroxyphenyl)Methyl]-1,3-Benzothiazole-2-Thione
• Synonyms: 3-[(3,5-Ditert-Butyl-4-Hydroxy-Phenyl)Methyl]-1,3-Benzothiazole-2-Thione; 3-(3,5-Ditert-Butyl-4-Hydroxy-Benzyl)-1,3-Benzothiazole-2-Thione; Zinc04017953
• Molecular Formula: C₂₂H₂₇NOS₂
• Molecular Weight: 385.58
• CAS Registry Number: 105247-17-4
• SMILES: C1=C(C(C)(C)C)C(=C(C=C1CN2C(SC3=C2C=CC=C3)=S)C(C)(C)C)O
• InChI: 1S/C22H27NOS2/c1-21(2,3)15-11-14(12-16(19(15)24)22(4,5)6)13-23-17-9-7-8-10-18(17)26-20(23)25/h7-12,24H,13H2,1-6H3
• InChIKey: FQQRWOWMCBISBN-UHFFFAOYSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 484.754°C at 760 mmHg (Cal.)
• Flash point: 246.971°C (Cal.)