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3-(2-Amino-4-thiazolyl)phenol Hydrochloride - ≥95%, high purity , CAS No.1050556-38-1

COA

Grade & Purity:

≥95%

Cas Number: 1050556-38-1
Molecular Weight: 228.7
PubChem CID: 17139018

In stock

Item Number

P691902

Grouped product items
SKU	Size	Availability	Price	Qty
P691902-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,028.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Thiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Thiazoles
Intermediate Tree Nodes	Not available
Direct Parent	2,4-disubstituted thiazoles
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrochloride - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	3-(2-amino-1,3-thiazol-4-yl)phenol;hydrochloride
INCHI	InChI=1S/C9H8N2OS.ClH/c10-9-11-8(5-13-9)6-2-1-3-7(12)4-6;/h1-5,12H,(H2,10,11);1H
InChIKey	NJQDMVOVOWVSPZ-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)O)C2=CSC(=N2)N.Cl
Isomeric SMILES	C1=CC(=CC(=C1)O)C2=CSC(=N2)N.Cl
PubChem CID	17139018
Molecular Weight	228.7

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	228.700 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	228.012 Da
Monoisotopic Mass	228.012 Da
Topological Polar Surface Area	87.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	179.000
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	2

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