7-(chloromethyl)-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one - ≥95% , CAS No.943656-55-1

CAS: 943656-55-1 Cat. No.: C335973 Peso molecular: 214.67 Número EC: 186-178-1

GRADE & PURITY ≥95%

Synonyms

BBL036357 | 7-Chloromethyl-2-methyl-thiazolo[3,2-a]pyrimidin-5-one | AT16819 | MFCD09971918 | F2145-0267 | FNZCXIFIXPCDQH-UHFFFAOYSA-N | 7-(chloromethyl)-2-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one | DTXSID40589708 | 7-(chloromethyl)-2-methyl-[1,3]thiazolo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

BBL036357 | 7-Chloromethyl-2-methyl-thiazolo[3, 2-a]pyrimidin-5-one | AT16819 | MFCD09971918 | F2145-0267 | FNZCXIFIXPCDQH-UHFFFAOYSA-N | 7-(chloromethyl)-2-methyl-5H-thiazolo[3, 2-a]pyrimidin-5-one | DTXSID40589708 | 7-(chloromethyl)-2-methyl-[1, 3]thiazolo

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

• Pubchem Sid: 504768585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768585
• Sonrisas canónicas: CC1=CN2C(=O)C=C(N=C2S1)CCl
• IUPAC Name: 7-(chloromethyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• InChIKey: FNZCXIFIXPCDQH-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClN2OS/c1-5-4-11-7(12)2-6(3-9)10-8(11)13-5/h2,4H,3H2,1H3
• Isómeros SMILES: CC1=CN2C(=O)C=C(N=C2S1)CCl
• Peso molecular: 214.67
• Reaxy-Rn: 19625931
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19625931&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrimidone - Azole - Thiazole - Heteroaromatic compound - Lactam - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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: 214.670 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 213.997 Da
• Monoisotopic Mass: 213.997 Da
• Topological Polar Surface Area: 58.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 359.000
• 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