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Home > Encyclopedia > Benzoic acid, 4-[[[2-(5-bromo-2-thienyl)-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI)

Benzoic acid, 4-[[[2-(5-bromo-2-thienyl)-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI)

Benzoic acid, 4-[[[2-(5-bromo-2-thienyl)-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI) structure

Benzoic acid, 4-[[[2-(5-bromo-2-thienyl)-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI) 

structure
  • CAS No:

    590380-02-2

  • Formula:

    C17H17BrN2O2S3

  • Chemical Name:

    Benzoic acid, 4-[[[2-(5-bromo-2-thienyl)-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI)

  • Synonyms:

    CTK8J4912;STK327384;AKOS003310644;MCULE-7227098351;Ethyl 4-({[2-(5-bromo-2-thienyl)-1,3-thiazolidin-3-yl]carbothioyl}amino)benzoate;ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate

Benzoic acid, 4-[[[2-(5-bromo-2-thienyl)-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI) Basic Attributes

457.42808

455.964

Characteristics

127

4.7

1.577±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:457.4
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:455.96355
Monoisotopic Mass:455.96355
Topological Polar Surface Area:127
Heavy Atom Count:25
Complexity:489
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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