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Home > Encyclopedia > Benzeneethanol, 4-isothiocyanato- (9CI)

Benzeneethanol, 4-isothiocyanato- (9CI)

Benzeneethanol, 4-isothiocyanato- (9CI) structure

Benzeneethanol, 4-isothiocyanato- (9CI) 

structure
  • CAS No:

    302577-18-0

  • Formula:

    C9H9NOS

  • Chemical Name:

    Benzeneethanol, 4-isothiocyanato- (9CI)

  • Synonyms:

    2-(4-isothiocyanatophenyl)ethanol;Benzeneethanol,4-isothiocyanato-;4-(2-hydroxyethyl)phenyl isothiocyanate;CTK4G4732;DTXSID30441003;ZINC2578971;AKOS006277183

Benzeneethanol, 4-isothiocyanato- (9CI) Basic Attributes

179.23886

179.04

DTXSID30441003

Characteristics

64.7

3.1

1.12±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:179.24
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:179.04048508
Monoisotopic Mass:179.04048508
Topological Polar Surface Area:64.7
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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