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2-(2-Thiazolylazo)-p-cresol - 97%, high purity , CAS No.1823-44-5
Basic Description
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%
Product Description
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
Taxonomic Classification
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488187935
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187935
IUPAC Name
4-methyl-2-(1,3-thiazol-2-yldiazenyl)phenol
INCHI
InChI=1S/C10H9N3OS/c1-7-2-3-9(14)8(6-7)12-13-10-11-4-5-15-10/h2-6,14H,1H3
InChIKey
MZRKINSTWYZJLV-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C=C1)O)N=NC2=NC=CS2
Isomeric SMILES
CC1=CC(=C(C=C1)O)N=NC2=NC=CS2
PubChem CID
137226
Molecular Weight
219.26
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
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D2310160