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Home > Encyclopedia > Benzothiazole, 2-(1,3-pentadienyl)- (7CI,8CI)

Benzothiazole, 2-(1,3-pentadienyl)- (7CI,8CI)

Benzothiazole, 2-(1,3-pentadienyl)- (7CI,8CI) structure

Benzothiazole, 2-(1,3-pentadienyl)- (7CI,8CI) 

structure
  • CAS No:

    1628-60-0

  • Formula:

    C12H11NS

  • Chemical Name:

    Benzothiazole, 2-(1,3-pentadienyl)- (7CI,8CI)

  • Synonyms:

    2-[(1E,3Z)-1,3-Pentadien-1-yl]-1,3-benzothiazole;ZINC45238204

Benzothiazole, 2-(1,3-pentadienyl)- (7CI,8CI) Basic Attributes

201.28744

201.061221

Characteristics

41.1

1.157±0.06 g/cm3(Predicted)

342.1±25.0 °C(Predicted)

Computed Properties

Molecular Weight:201.29
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:201.06122053
Monoisotopic Mass:201.06122053
Topological Polar Surface Area:41.1
Heavy Atom Count:14
Complexity:235
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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