2-(2,5-Dimethyl-1,3-thiazol-4-yl)acetic acid - ≥95% , CAS No.306937-38-2

CAS: 306937-38-2 Cat. No.: D183574 Peso molecular: 171.2 Número EC: 825-041-9

GRADE & PURITY ≥95%

Synonyms

306937-38-2|2-(2,5-dimethylthiazol-4-yl)acetic acid|2-(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid|(2,5-Dimethyl-1,3-thiazol-4-yl)acetic acid|4-Thiazoleacetic acid, 2,5-dimethyl-|MFCD02677725|Maybridge3_007546|(2,5-dimethyl-thiazol-4-yl)-acetic acid|2-(dime

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

306937-38-2 | 2-(2, 5-dimethylthiazol-4-yl)acetic acid | 2-(2, 5-dimethyl-1, 3-thiazol-4-yl)acetic acid | (2, 5-Dimethyl-1, 3-thiazol-4-yl)acetic acid | 4-Thiazoleacetic acid, 2, 5-dimethyl- | MFCD02677725 | Maybridge3_007546 | (2, 5-dimethyl-thiazol-4-yl)-acetic acid | 2-(dime

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504761408
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761408
• Sonrisas canónicas: CC1=C(N=C(S1)C)CC(=O)O
• IUPAC Name: 2-(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid
• InChIKey: FFPWICPYXBDRHM-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO2S/c1-4-6(3-7(9)10)8-5(2)11-4/h3H2,1-2H3,(H,9,10)
• Isómeros SMILES: CC1=C(N=C(S1)C)CC(=O)O
• Peso molecular: 171.2
• Reaxy-Rn: 15436433
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15436433&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4,5-trisubstituted thiazoles
• Alternative Parents: Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 171.220 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 171.035 Da
• Monoisotopic Mass: 171.035 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 163.000
• 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