S-((4-(1,1-Dimethylethyl)Phenyl)Methyl) O-(2-Methylpropyl) 3-Pyridinylcarbonimidothioate
[CAS# 51308-65-7]

Identification

• Name: S-((4-(1,1-Dimethylethyl)Phenyl)Methyl) O-(2-Methylpropyl) 3-Pyridinylcarbonimidothioate
• Synonyms: S-[(4-Tert-Butylphenyl)Methyl] [(2-Isobutyl-3-Pyridyl)Amino]Methanethioate; [(2-Isobutyl-3-Pyridyl)Amino]Methanethioic Acid S-[(4-Tert-Butylphenyl)Methyl] Ester; [(2-Isobutyl-3-Pyridyl)Amino]Methanethioic Acid S-(4-Tert-Butylbenzyl) Ester
• Molecular Formula: C₂₁H₂₈N₂OS
• Molecular Weight: 356.53
• CAS Registry Number: 51308-65-7
• SMILES: C2=C(NC(=O)SCC1=CC=C(C=C1)C(C)(C)C)C(=NC=C2)CC(C)C
• InChI: 1S/C21H28N2OS/c1-15(2)13-19-18(7-6-12-22-19)23-20(24)25-14-16-8-10-17(11-9-16)21(3,4)5/h6-12,15H,13-14H2,1-5H3,(H,23,24)
• InChIKey: AEXLBTQKQFTCIG-UHFFFAOYSA-N

Properties

• Density: 1.103g/cm³ (Cal.)