S-((4-(1,1-Dimethylethyl)Phenyl)Methyl) O-(3-Methylbutyl) 3-Pyridinylcarbonimidothioate
[CAS# 51308-70-4]

Identification

• Name: S-((4-(1,1-Dimethylethyl)Phenyl)Methyl) O-(3-Methylbutyl) 3-Pyridinylcarbonimidothioate
• Synonyms: S-[(4-Tert-Butylphenyl)Methyl] [(2-Isopentyl-3-Pyridyl)Amino]Methanethioate; [(2-Isopentyl-3-Pyridyl)Amino]Methanethioic Acid S-[(4-Tert-Butylphenyl)Methyl] Ester; [(2-Isoamyl-3-Pyridyl)Amino]Methanethioic Acid S-(4-Tert-Butylbenzyl) Ester
• Molecular Weight: 370.55
• CAS Registry Number: 51308-70-4
• SMILES: C2=C(NC(=O)SCC1=CC=C(C=C1)C(C)(C)C)C(=NC=C2)CCC(C)C
• InChI: 1S/C22H30N2OS/c1-16(2)8-13-19-20(7-6-14-23-19)24-21(25)26-15-17-9-11-18(12-10-17)22(3,4)5/h6-7,9-12,14,16H,8,13,15H2,1-5H3,(H,24,25)
• InChIKey: PJENYZAPWWYONQ-UHFFFAOYSA-N

Properties

• Density: 1.09g/cm³ (Cal.)