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Home > Encyclopedia > 2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene structure

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene 

structure
  • CAS No:

    80058-93-1

  • Formula:

    C19H21NOS

  • Chemical Name:

    2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene

  • Synonyms:

    Benzene,2-isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxy-;2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene;1,3-Diisopropyl-2-isothiocyanato-5-phenoxybenzene

  • Categories:

    Pharmaceutical Intermediates  >  Analgesics

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene Basic Attributes

311.44100

311.44

Characteristics

53.68000

6.46000

1.04±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:311.4
XLogP3:7.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:311.13438547
Monoisotopic Mass:311.13438547
Topological Polar Surface Area:53.7
Heavy Atom Count:22
Complexity:365
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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