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ETHYL 4-ISOPROPYLTHIAZOLE-2-CARBOXYLATE - 97%, high purity , CAS No.156589-82-1
Discover ETHYL 4-ISOPROPYLTHIAZOLE-2-CARBOXYLATE by Aladdin Scientific in 97% for only $2,102.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
ETHYL 4-ISOPROPYLTHIAZOLE-2-CARBOXYLATE | 156589-82-1 | Ethyl 4-propan-2-yl-1,3-thiazole-2-carboxylate | 2-Thiazolecarboxylic acid, 4-(1-methylethyl)-, ethyl ester | Ethyl4-isopropylthiazole-2-carboxylate | Ethyl 4-isopropyl-2-thiazolecarboxylate | 2-Thiazolecarboxyl
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Not available
Direct Parent
Thiazolecarboxylic acids and derivatives
Alternative Parents
2,4-disubstituted thiazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
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.
Names and Identifiers
IUPAC Name
ethyl 4-propan-2-yl-1,3-thiazole-2-carboxylate
INCHI
InChI=1S/C9H13NO2S/c1-4-12-9(11)8-10-7(5-13-8)6(2)3/h5-6H,4H2,1-3H3
InChIKey
IYWKKZAAUKWYNT-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=NC(=CS1)C(C)C
Isomeric SMILES
CCOC(=O)C1=NC(=CS1)C(C)C
Molecular Weight
199.27
Reaxy-Rn
8310162
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8310162&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
199.270 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
199.067 Da
Monoisotopic Mass
199.067 Da
Topological Polar Surface Area
67.400 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
184.000
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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