2-Methylthieno[2,3-d]thiazole - ≥95% , CAS No.61612-02-0

CAS: 61612-02-0 Cat. No.: M710380 Peso molecular: 155.24

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=NC2=C(S1)C=CS2
• IUPAC Name: 2-methylthieno[2,3-d][1,3]thiazole
• InChIKey: LYRYMIMXAYOASW-UHFFFAOYSA-N
• INCHI: 1S/C6H5NS2/c1-4-7-6-5(9-4)2-3-8-6/h2-3H,1H3
• Isómeros SMILES: CC1=NC2=C(S1)C=CS2
• CAS alternativo: 61612-02-0
• Peso molecular: 155.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thienothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thienothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienothiazoles
• Alternative Parents: Thiophenes Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienothiazole - Heteroaromatic compound - Thiophene - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thienothiazoles. These are heterocyclic compounds containing a thiophene ring fused to a thiazole. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Thiazole is a 6-membered ring that contains both sulfur and nitrogen.
• 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: 155.200 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.986 Da
• Monoisotopic Mass: 154.986 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 118.000
• 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