5-(1-Adamantyl)-4-(Phenylmethyl)-2H-1,2,4-Triazole-3-Thione
[CAS# 139158-26-2]

Identification

• Name: 5-(1-Adamantyl)-4-(Phenylmethyl)-2H-1,2,4-Triazole-3-Thione
• Synonyms: 5-(1-Adamantyl)-4-(Benzyl)-2H-1,2,4-Triazole-3-Thione; Brn 4882005; Oprea1_240552
• Molecular Formula: C₁₉H₂₃N₃S
• Molecular Weight: 325.47
• CAS Registry Number: 139158-26-2
• SMILES: C5=C(CN1C(=NNC1=S)C24CC3CC(C2)CC(C3)C4)C=CC=C5
• InChI: 1S/C19H23N3S/c23-18-21-20-17(22(18)12-13-4-2-1-3-5-13)19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,14-16H,6-12H2,(H,21,23)
• InChIKey: RBJPSQKOKOVTKU-UHFFFAOYSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 446.293°C at 760 mmHg (Cal.)
• Flash point: 223.71°C (Cal.)