N-[[4-(1,1-Dimethylethyl)Phenyl]Thio]-N-Methylcarbamic Acid 2,3-Dihydro-2,2-Dimethylbenzofuran-7-Yl Ester
[CAS# 50539-70-3]

Identification

• Name: N-[[4-(1,1-Dimethylethyl)Phenyl]Thio]-N-Methylcarbamic Acid 2,3-Dihydro-2,2-Dimethylbenzofuran-7-Yl Ester
• Synonyms: (2,2-Dimethyl-3H-Benzofuran-7-Yl) N-[(4-Tert-Butylphenyl)Sulfanylmethyl]Carbamate; N-[[(4-Tert-Butylphenyl)Thio]Methyl]Carbamic Acid (2,2-Dimethyl-3H-Benzofuran-7-Yl) Ester; N-((P-Tert-Butylphenyl)Sulfenyl)Carbofuran
• Molecular Formula: C₂₂H₂₇NO₃S
• Molecular Weight: 385.52
• CAS Registry Number: 50539-70-3
• SMILES: C1=C3C(=C(C=C1)OC(NCSC2=CC=C(C=C2)C(C)(C)C)=O)OC(C3)(C)C
• InChI: 1S/C22H27NO3S/c1-21(2,3)16-9-11-17(12-10-16)27-14-23-20(24)25-18-8-6-7-15-13-22(4,5)26-19(15)18/h6-12H,13-14H2,1-5H3,(H,23,24)
• InChIKey: BPFWPAYVFBBACO-UHFFFAOYSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 490.602°C at 760 mmHg (Cal.)
• Flash point: 250.507°C (Cal.)