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Home > Encyclopedia > 2-Chloro-5-methoxybenzothiazole

2-Chloro-5-methoxybenzothiazole

2-Chloro-5-methoxybenzothiazole structure

2-Chloro-5-methoxybenzothiazole 

structure
  • CAS No:

    3507-28-6

  • Formula:

    C8H6ClNOS

  • Chemical Name:

    2-Chloro-5-methoxybenzothiazole

  • Synonyms:

    Benzothiazole,2-chloro-5-methoxy-;2-Chloro-5-methoxybenzothiazole;2-Chloro-5-methoxy-1,3-benzothiazole

2-Chloro-5-methoxybenzothiazole Basic Attributes

199.66

199.66

DTXSID30427600

2934200090

Characteristics

50.4

3.3

1.404 g/cm3

293.5°C at 760 mmHg

131.3ºC

2-Chloro-5-methoxybenzothiazole Use and Manufacturing

Sulfuryl chloride (1.64 mL) was added to a solution of 5-methoxy-2- mercaptobenzothiazole in THF (20 mL). After stirring overnight, ice water was added. The reaction mixture was allowed to warm to rt and was diluted with EtOAc (100 mL). This was washed with water (50 mL) and brine (50 mL), dried over NaTo a solution of 9 (1.00 g, 5.07 mmol) in SOCl

Computed Properties

Molecular Weight:199.66
XLogP3:3.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:198.9858627
Monoisotopic Mass:198.9858627
Topological Polar Surface Area:50.4
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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