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2-Methyl-3-(4-sulfobutyl)benzothiazolium betaine

2-Methyl-3-(4-sulfobutyl)benzothiazolium betaine structure

2-Methyl-3-(4-sulfobutyl)benzothiazolium betaine 

structure
  • CAS No:

    55526-95-9

  • Formula:

    C12H15NO3S2

  • Chemical Name:

    2-Methyl-3-(4-sulfobutyl)benzothiazolium betaine

  • Synonyms:

    Benzothiazolium,2-methyl-3-(4-sulfobutyl)-,inner salt;Benzothiazolium,2-methyl-3-(4-sulfobutyl)-,hydroxide,inner salt;2-Methyl-3-(4-sulfobutyl)benzothiazolium hydroxide,inner salt;Anhydro-2-methyl-3-(4-sulfobutyl)benzothiazolium hydroxide;2-Methyl-3-(4-sulfobutyl)benzothiazolium betaine;NSC 111117;3-(4-Sulfobutyl)-2-methylthiobenzothiazolinium inner salt;1425113-52-5

2-Methyl-3-(4-sulfobutyl)benzothiazolium betaine Basic Attributes

285.4 g/mol

285.04933569 g/mol

259-698-2

DTXSID1069033

Characteristics

97.7 Ų

286-289 °C @ Solvent: Methanol, Water

2-Methyl-3-(4-sulfobutyl)benzothiazolium betaine Use and Manufacturing

Benzothiazolium, 2-methyl-3-(4-sulfobutyl)-, inner salt: ACTIVE

Computed Properties

Molecular Weight:285.4
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:285.04933569
Monoisotopic Mass:285.04933569
Topological Polar Surface Area:97.7
Heavy Atom Count:18
Complexity:353
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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