4-Chloro-2-morpholin-1yl-thiazole-5-carboxaldehyde - ≥97% , CAS No.129880-84-8

CAS: 129880-84-8 Cat. No.: C166877 Molecular Weight: 232.69 EC Number: 996-776-1

GRADE & PURITY ≥97%

Synonyms

4-CHLORO-2-(4-MORPHOLINO)-5-THIAZOLECARBOXALDEHYDE | SCHEMBL2559774 | 4-Chloro-2-morpholin-4-yl-thiazole-5-carbaldehyde | PXXGEJVHSHQARO-UHFFFAOYSA-N | Z285751716 | EN300-223902 | MFCD03453087 | AM20080209 | DS-0020 | DTXSID40376711 | A805982 | 4-chloro-2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-CHLORO-2-(4-MORPHOLINO)-5-THIAZOLECARBOXALDEHYDE | SCHEMBL2559774 | 4-Chloro-2-morpholin-4-yl-thiazole-5-carbaldehyde | PXXGEJVHSHQARO-UHFFFAOYSA-N | Z285751716 | EN300-223902 | MFCD03453087 | AM20080209 | DS-0020 | DTXSID40376711 | A805982 | 4-chloro-2

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1COCCN1C2=NC(=C(S2)C=O)Cl
• IUPAC Name: 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
• InChIKey: PXXGEJVHSHQARO-UHFFFAOYSA-N
• INCHI: 1S/C8H9ClN2O2S/c9-7-6(5-12)14-8(10-7)11-1-3-13-4-2-11/h5H,1-4H2
• Isomeric SMILES: C1COCCN1C2=NC(=C(S2)C=O)Cl
• Molecular Weight: 232.69
• Reaxy-Rn: 3550044
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3550044&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4,5-trisubstituted thiazoles
• Alternative Parents: Dialkylarylamines Aryl-aldehydes Morpholines Aryl chlorides 2-amino-1,3-thiazoles Vinylogous halides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - Dialkylarylamine - Aryl-aldehyde - Aryl chloride - Aryl halide - Morpholine - Oxazinane - 1,3-thiazol-2-amine - Heteroaromatic compound - Vinylogous halide - Dialkyl ether - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
• 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

Chemical and Physical Properties

• Molecular Weight: 232.690 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 232.007 Da
• Monoisotopic Mass: 232.007 Da
• Topological Polar Surface Area: 70.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 214.000
• 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