ácido 2-amino-4-metiltiazol-5-carboxílico - ≥95% , CAS No.67899-00-7

CAS: 67899-00-7 Cat. No.: A140221 Peso molecular: 158.18 Número EC: 675-849-9

GRADE & PURITY ≥95%

Synonyms

AKOS000303171 | BBL005562 | SCHEMBL179966 | EN300-92902 | 2-Amino-4-methylthiazole-5-carboxylicacid | SY024592 | 2-Amino-4-methylthiazole-5-carboxylic acid, 95% | 2-amino-4-methyl-thiazole-5-carboxylic acid;2-Amino-4-methylthiazole-5-carboxylic Acid | AMY

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

AKOS000303171 | BBL005562 | SCHEMBL179966 | EN300-92902 | 2-Amino-4-methylthiazole-5-carboxylicacid | SY024592 | 2-Amino-4-methylthiazole-5-carboxylic acid, 95% | 2-amino-4-methyl-thiazole-5-carboxylic acid;2-Amino-4-methylthiazole-5-carboxylic Acid | AMY

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488191593
• Sonrisas canónicas: CC1=C(SC(=N1)N)C(=O)O
• IUPAC Name: 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid
• InChIKey: QCVFVGONDMKXEE-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O2S/c1-2-3(4(8)9)10-5(6)7-2/h1H3,(H2,6,7)(H,8,9)
• Isómeros SMILES: CC1=C(SC(=N1)N)C(=O)O
• WGK Alemania: 3
• Peso molecular: 158.18
• Reaxy-Rn: 134972
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=134972&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: Thiazolecarboxylic acids and derivatives
• Alternative Parents: 2,4,5-trisubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxylic acid or derivatives - 1,3-thiazol-2-amine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
• 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

• Punto de fusión (°C): 166-170°C
• Peso molecular: 158.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 158.015 Da
• Monoisotopic Mass: 158.015 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 153.000
• 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