5-chloro-1,3-thiazole-2-carbaldehyde - ≥97% , CAS No.59129-52-1

CAS: 59129-52-1 Cat. No.: C634178 Molecular Weight: 147.58 EC Number: 691-340-4 PubChem CID: 44119612

GRADE & PURITY ≥97%

Synonyms

5-CHLORO-2-FORMYLTHIAZOLE | MFCD08460383 | 5-CHLORO-1,3-THIAZOLE-2-CARBALDEHYDE | 5-Chlorothiazole-2-carbaldehyde | SCHEMBL2901458 | DTXSID10657327 | ROLHZJVHOWFADC-UHFFFAOYSA-N | 5-CHLOROTHIAZOLE-2-CARBOXALDEHYDE | 5-Chloro-1,3-thiazole-2-carboxaldehyde

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5-CHLORO-2-FORMYLTHIAZOLE | MFCD08460383 | 5-CHLORO-1, 3-THIAZOLE-2-CARBALDEHYDE | 5-Chlorothiazole-2-carbaldehyde | SCHEMBL2901458 | DTXSID10657327 | ROLHZJVHOWFADC-UHFFFAOYSA-N | 5-CHLOROTHIAZOLE-2-CARBOXALDEHYDE | 5-Chloro-1, 3-thiazole-2-carboxaldehyde

Specifications & Purity

≥97%

Stability And Storage

-20°C，sealed storage, away from moisture

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 528761528
• Canonical Smiles: C1=C(SC(=N1)C=O)Cl
• IUPAC Name: 5-chloro-1,3-thiazole-2-carbaldehyde
• InChIKey: ROLHZJVHOWFADC-UHFFFAOYSA-N
• INCHI: 1S/C4H2ClNOS/c5-3-1-6-4(2-7)8-3/h1-2H
• Isomeric SMILES: C1=C(SC(=N1)C=O)Cl
• Alternate CAS: 59129-52-1
• PubChem CID: 44119612
• Molecular Weight: 147.58

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: 2,5-disubstituted thiazoles
• Alternative Parents: Aryl-aldehydes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted 1,3-thiazole - Aryl-aldehyde - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 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

• Sensitivity: Hygroscopic
• Molecular Weight: 147.580 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 146.955 Da
• Monoisotopic Mass: 146.955 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 100.000
• 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