2-Morpholinothiazole-4-carbaldehyde - ≥98% , CAS No.126533-97-9

CAS: 126533-97-9 Cat. No.: M728212 分子式: C₈H₁₀N₂O₂S 分子量: 198.24 PubChem CID: 15053579

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

仕様と純度

≥98%

保管条件

Room temperature

純度

≥98%

名前と識別子

カノニカル・スマイル

C1COCCN1C2=NC(=CS2)C=O

IUPAC Name

2-morpholin-4-yl-1,3-thiazole-4-carbaldehyde

InChIKey

JPJSUXPYPAQDDL-UHFFFAOYSA-N

INCHI

1S/C8H10N2O2S/c11-5-7-6-13-8(9-7)10-1-3-12-4-2-10/h5-6H,1-4H2

異性体SMILES

C1COCCN1C2=NC(=CS2)C=O

PubChem CID

15053579

分子量

198.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aryl-aldehydes 2,4-disubstituted thiazoles Morpholines 2-amino-1,3-thiazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Aryl-aldehyde - Morpholine - Oxazinane - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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

化学的性質と物理的性質

• 分子量: 198.240 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 198.046 Da
• Monoisotopic Mass: 198.046 Da
• Topological Polar Surface Area: 70.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 185.000
• 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