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Benzoic acid, 4-[[[2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI)

Benzoic acid, 4-[[[2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI) structure

CAS No:
590378-99-7
Formula:
C24H26N2O3S2
Chemical Name:
Benzoic acid, 4-[[[2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI)
Synonyms:
CTK8J4911;AKOS003310859;MCULE-2593878188;ethyl 4-[({2-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]-1,3-thiazolidin-3-yl}carbothioyl)amino]benzoate

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Benzoic acid, 4-[[[2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI) Basic Attributes

Molecular Weight：

454.60484

Exact Mass：

454.138

Characteristics

PSA：

119

XLogP3：

4.1

Computed Properties

Molecular Weight:454.6
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:454.13848504
Monoisotopic Mass:454.13848504
Topological Polar Surface Area:119
Heavy Atom Count:31
Complexity:698
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 4-[[[2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI)

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

Benzoic acid, 4-[[[2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI)

SDS

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