2-(2-Thiazolylazo)-p-cresol - ≥97% , CAS No.1823-44-5

CAS: 1823-44-5 Cat. No.: T468873 Molecular Weight: 219.26 EC Number: 625-494-0 PubChem CID: 137226

GRADE & PURITY ≥97%

Synonyms

2-benzofuran-1(3 H)-one | H10346 | (6E)-4-methyl-6-(2-thiazolylhydrazinylidene)-1-cyclohexa-2,4-dienone | 4-Methyl-2-[(E)-1,3-thiazol-2-yldiazenyl]phenol # | FT-0631413 | 2,3-XYLIDINE [HSDB] | HMS3066O16 | A812685 | BDBM66034 | Phenol, 4-methyl-2-[2-(2-th

Storage

Room temperature

Overview

Description

2-(2-Thiazolylazo)-p-cresol is a heterocyclic azo-dye2, has been used:as iron binding ligand during determination of iron speciation in seawater by cathodic stripping voltammetryin spectrophotometric determination of vanadium, titanium, lead, indiumand nickelas as a spectrophotometric reagent in the determination of uranium in mine drainage water samples

Specifications

Synonyms

2-benzofuran-1(3 H)-one | H10346 | (6E)-4-methyl-6-(2-thiazolylhydrazinylidene)-1-cyclohexa-2, 4-dienone | 4-Methyl-2-[(E)-1, 3-thiazol-2-yldiazenyl]phenol # | FT-0631413 | 2, 3-XYLIDINE [HSDB] | HMS3066O16 | A812685 | BDBM66034 | Phenol, 4-methyl-2-[2-(2-th

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187935
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187935
• Canonical Smiles: CC1=CC(=C(C=C1)O)N=NC2=NC=CS2
• IUPAC Name: 4-methyl-2-(1,3-thiazol-2-yldiazenyl)phenol
• InChIKey: MZRKINSTWYZJLV-UHFFFAOYSA-N
• INCHI: 1S/C10H9N3OS/c1-7-2-3-9(14)8(6-7)12-13-10-11-4-5-15-10/h2-6,14H,1H3
• Isomeric SMILES: CC1=CC(=C(C=C1)O)N=NC2=NC=CS2
• PubChem CID: 137226
• Molecular Weight: 219.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Para cresols
• Alternative Parents: Toluenes 1-hydroxy-2-unsubstituted benzenoids Thiazoles Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Thiazole - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GLB1 Tchem Beta-galactosidase (339 Activities)

Discover Target: GLB1

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HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HepG2 (196354 Activities)

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CCR6 Tchem C-C chemokine receptor type 6 (388 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

Discover Target: L3MBTL1

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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INS1 (2867 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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CIT2 Citrate synthase, peroxisomal (26 Activities)

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HSP90 (947 Activities)

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vpr Aberrant vpr protein (14595 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: soluble 50mg/mL, clear, red to red-brown (ethanol:CHCl3 (1:1))
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 130-132℃ (lit.)
• Molecular Weight: 219.270 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 219.047 Da
• Monoisotopic Mass: 219.047 Da
• Topological Polar Surface Area: 86.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 237.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1