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Home > Encyclopedia > Benzothiazole, 2-(1-chloroethyl)- (9CI)

Benzothiazole, 2-(1-chloroethyl)- (9CI)

Benzothiazole, 2-(1-chloroethyl)- (9CI) structure

Benzothiazole, 2-(1-chloroethyl)- (9CI) 

structure
  • CAS No:

    110704-27-3

  • Formula:

    C9H8ClNS

  • Chemical Name:

    Benzothiazole, 2-(1-chloroethyl)- (9CI)

  • Synonyms:

    2-(1-chloroethyl)benzothiazole;2-(1-Chloroethyl)-1,3-benzothiazole;SCHEMBL9675088;1-(2-Benzothiazolyl)ethyl chloride;AKOS009158825;2-((r,s)-1-chloro-ethyl)-benzothiazole

Benzothiazole, 2-(1-chloroethyl)- (9CI) Basic Attributes

197.68452

197.007

Characteristics

41.1

3.4

1.307±0.06 g/cm3(Predicted)

115-116 °C(Press: 4 Torr)

Computed Properties

Molecular Weight:197.69
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:197.0065981
Monoisotopic Mass:197.0065981
Topological Polar Surface Area:41.1
Heavy Atom Count:12
Complexity:165
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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