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Home > Encyclopedia > 1-ethyl-2-isothiocyanato-3-methylbenzene

1-ethyl-2-isothiocyanato-3-methylbenzene

1-ethyl-2-isothiocyanato-3-methylbenzene structure

1-ethyl-2-isothiocyanato-3-methylbenzene 

structure
  • CAS No:

    66609-04-9

  • Formula:

    C10H11NS

  • Chemical Name:

    1-ethyl-2-isothiocyanato-3-methylbenzene

  • Synonyms:

    2-ethyl-6-methylphenyl-isothiocyanate; 2-Methyl-6-aethyl-phenylisothiocyanat; 2-ethyl-2-methylphenyl isothiocyanate; 6-ethyl-2-methylbenzenisothiocyanate;

1-ethyl-2-isothiocyanato-3-methylbenzene Basic Attributes

177.26600

177.06122053 g/mol

DTXSID70216777

2930909090

Characteristics

44.45000

3.29170

1.06

284.5ºC at 760 mmHg

128.9ºC

1.612

Safety Information

III

6.1

UN 2811

R23/24/25

26-36/37/39

Computed Properties

Molecular Weight:177.27
XLogP3:4.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:177.06122053
Monoisotopic Mass:177.06122053
Topological Polar Surface Area:44.4
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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