Ethyl 2-amino-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate - ≥97% , CAS No.117642-16-7

CAS: 117642-16-7 Cat. No.: E172325 Peso molecular: 227.28

GRADE & PURITY ≥97%

Synonyms

EN300-309442 | AC-28353 | MFCD05664038 | SCHEMBL3495630 | DTXSID70450937 | AKOS000803909 | ETHYL 2-AMINO-4H,5H,7H-THIENO[2,3-C]PYRAN-3-CARBOXYLATE | 5H-Thieno[2,3-c]pyran-3-carboxylic acid, 2-amino-4,7-dihydro-, ethyl ester | 2-AMINO-4,7-DIHYDRO-5H-THIENO

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

EN300-309442 | AC-28353 | MFCD05664038 | SCHEMBL3495630 | DTXSID70450937 | AKOS000803909 | ETHYL 2-AMINO-4H, 5H, 7H-THIENO[2, 3-C]PYRAN-3-CARBOXYLATE | 5H-Thieno[2, 3-c]pyran-3-carboxylic acid, 2-amino-4, 7-dihydro-, ethyl ester | 2-AMINO-4, 7-DIHYDRO-5H-THIENO

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=C(SC2=C1CCOC2)N
• IUPAC Name: ethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
• InChIKey: RRKGPBYCHQFJEG-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO3S/c1-2-14-10(12)8-6-3-4-13-5-7(6)15-9(8)11/h2-5,11H2,1H3
• Isómeros SMILES: CCOC(=O)C1=C(SC2=C1CCOC2)N
• Peso molecular: 227.28
• Reaxy-Rn: 8911351
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8911351&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thienopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thienopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrans
• Alternative Parents: 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Pyrans Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyran - 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Pyran - 2-aminothiophene - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxylic acid ester - Amino acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organic oxide - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thienopyrans. These are heterocyclic compounds containing a thiophene ring fused to a pyran ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
• 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: 227.280 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 227.062 Da
• Monoisotopic Mass: 227.062 Da
• Topological Polar Surface Area: 89.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 249.000
• 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