Ethyl benzo[d]thiazole-6-carboxylate - ≥97% , CAS No.19989-64-1

CAS: 19989-64-1 Cat. No.: E631359 Formule: C₁₀H₉NO₂S Poids moléculaire: 207.25 PubChem CID: 10512520

GRADE & PURITY ≥97%

Synonyms

FT-0736110 | SY317243 | ethylbenzo[d]thiazole-6-carboxylate | 6-Benzothiazolecarboxylicacid,ethylester(6CI,8CI,9CI) | AS-69278 | AYOJYVVHVFIOLK-UHFFFAOYSA-N | 6-Benzothiazolecarboxylic acid, ethyl ester | AKOS005259778

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

FT-0736110 | SY317243 | ethylbenzo[d]thiazole-6-carboxylate | 6-Benzothiazolecarboxylicacid,ethylester(6CI,8CI,9CI) | AS-69278 | AYOJYVVHVFIOLK-UHFFFAOYSA-N | 6-Benzothiazolecarboxylic acid, ethyl ester | AKOS005259778

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528775289
• Sourires canoniques: CCOC(=O)C1=CC2=C(C=C1)N=CS2
• IUPAC Name: ethyl 1,3-benzothiazole-6-carboxylate
• InChIKey: AYOJYVVHVFIOLK-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO2S/c1-2-13-10(12)7-3-4-8-9(5-7)14-6-11-8/h3-6H,2H2,1H3
• Isomères SMILES: CCOC(=O)C1=CC2=C(C=C1)N=CS2
• CAS alternatif: 19989-64-1
• PubChem CID: 10512520
• Poids moléculaire: 207.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Thiazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 207.250 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 207.035 Da
• Monoisotopic Mass: 207.035 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• 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