(4-Formylthiazol-2-yl)carbamic acid tert-butyl ester - ≥96% , CAS No.494769-34-5

CAS: 494769-34-5 Cat. No.: F184757 Peso molecular: 228.27

GRADE & PURITY ≥96%

Synonyms

tert-butyl 4-formylthiazol-2-ylcarbamate | tert-butyl (4-formylthiazol-2-yl)carbamate | MFCD08275704 | tert-butyl N-(4-formyl-1,3-thiazol-2-yl)carbamate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

tert-butyl 4-formylthiazol-2-ylcarbamate | tert-butyl (4-formylthiazol-2-yl)carbamate | MFCD08275704 | tert-butyl N-(4-formyl-1, 3-thiazol-2-yl)carbamate

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC1=NC(=CS1)C=O
• IUPAC Name: tert-butyl N-(4-formyl-1,3-thiazol-2-yl)carbamate
• InChIKey: WJJQIZYBOFGKLA-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h4-5H,1-3H3,(H,10,11,13)
• Isómeros SMILES: CC(C)(C)OC(=O)NC1=NC(=CS1)C=O
• Peso molecular: 228.27
• Reaxy-Rn: 14571018
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14571018&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Aryl-aldehydes Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Aromatic heteromonocyclic compound
• Descripción: 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

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

Propiedades químicas y físicas

• Peso molecular: 228.270 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 228.057 Da
• Monoisotopic Mass: 228.057 Da
• Topological Polar Surface Area: 96.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 252.000
• 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