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Home > Encyclopedia > 2,5-DIMETHOXYPHENETHYL ISOTHIOCYANATE

2,5-DIMETHOXYPHENETHYL ISOTHIOCYANATE

2,5-DIMETHOXYPHENETHYL ISOTHIOCYANATE structure

2,5-DIMETHOXYPHENETHYL ISOTHIOCYANATE 

structure
  • CAS No:

    56771-74-5

  • Formula:

    C11H13NO2S

  • Chemical Name:

    2,5-DIMETHOXYPHENETHYL ISOTHIOCYANATE

  • Synonyms:

    2,5-Dimethoxyphenethyl isothiocyanate;2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene;Benzene,2-(2-isothiocyanatoethyl)-1,4-dimethoxy-;Benzene, 2-(2-isothiocyanatoethyl)-1,4-dimethoxy-;CTK5A5688;DTXSID70343759;ZINC2574327;2,5-Dimethoxyphenethylisothiocyanate;5778AE;MFCD01310813

2,5-DIMETHOXYPHENETHYL ISOTHIOCYANATE Basic Attributes

223.29

223.06700

DTXSID70343759

2930909090

Characteristics

62.9

2.34910

1.08g/cm3

154°C/5mm

170.1ºC

1.529

Safety Information

IRRITANT-HARMFUL

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

Computed Properties

Molecular Weight:223.29
XLogP3:3.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:223.06669983
Monoisotopic Mass:223.06669983
Topological Polar Surface Area:62.9
Heavy Atom Count:15
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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