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Home > Encyclopedia > Benzene, 1-ethynyl-3-isothiocyanato- (9CI)

Benzene, 1-ethynyl-3-isothiocyanato- (9CI)

Benzene, 1-ethynyl-3-isothiocyanato- (9CI) structure

Benzene, 1-ethynyl-3-isothiocyanato- (9CI) 

structure
  • CAS No:

    244246-95-5

  • Formula:

    C9H5NS

  • Chemical Name:

    Benzene, 1-ethynyl-3-isothiocyanato- (9CI)

  • Synonyms:

    1-ethynyl-3-isothiocyanatobenzene;Benzene, 1-ethynyl-3-isothiocyanato- (9CI);3-Ethynylphenyl isothiocyanate;SCHEMBL14836524;CTK4F3639;DTXSID40654147;ZINC2515967;Benzene,1-ethynyl-3-isothiocyanato-;AKOS000211896;NE33178

Benzene, 1-ethynyl-3-isothiocyanato- (9CI) Basic Attributes

159.2077

159.014

DTXSID40654147

Characteristics

44.4

3.6

Computed Properties

Molecular Weight:159.21
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:159.01427034
Monoisotopic Mass:159.01427034
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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