S-[4-(2-Methyl-2-propanyl)benzyl] [2-(3,3,5-trimethylcyclohexyl)-3-pyridinyl]carbamothioate
[CAS# 42754-22-3]

Identification

• Name: S-[4-(2-Methyl-2-propanyl)benzyl] [2-(3,3,5-trimethylcyclohexyl)-3-pyridinyl]carbamothioate
• Synonyms: S-[(4-Tert-Butylphenyl)Methyl] [[2-(3,3,5-Trimethylcyclohexyl)-3-Pyridyl]Amino]Methanethioate; [[2-(3,3,5-Trimethylcyclohexyl)-3-Pyridyl]Amino]Methanethioic Acid S-[(4-Tert-Butylphenyl)Methyl] Ester; [[2-(3,3,5-Trimethylcyclohexyl)-3-Pyridyl]Amino]Methanethioic Acid S-(4-Tert-Butylbenzyl) Ester
• Molecular Formula: C₂₆H₃₆N₂OS
• Molecular Weight: 424.64
• CAS Registry Number: 42754-22-3
• SMILES: C2=C(NC(=O)SCC1=CC=C(C=C1)C(C)(C)C)C(=NC=C2)C3CC(CC(C3)C)(C)C
• InChI: 1S/C26H36N2OS/c1-18-14-20(16-26(5,6)15-18)23-22(8-7-13-27-23)28-24(29)30-17-19-9-11-21(12-10-19)25(2,3)4/h7-13,18,20H,14-17H2,1-6H3,(H,28,29)
• InChIKey: ZXWCLDLSAOWNMY-UHFFFAOYSA-N

Properties

• Density: 1.07g/cm³ (Cal.)