Ácido feniltio-hidantoína-glutâmico - ≥95%(HPLC)(T) , CAS No.5624-27-1

CAS: 5624-27-1 Cat. No.: P160405 Fórmula: C₁₂H₁₂N₂O₃S Peso molecular: 264.3 PubChem CID: 2872155

Synonyms

ácido 3-fenil-2-tio-hidantoína-5-propiónico:Ácido PTH-glutâmico

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ácido 3-fenil-2-tio-hidantoína-5-propiónico:Ácido PTH-glutâmico

Especificações e pureza

≥95%(HPLC)(T)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

• Pubchem Sid: 488194105
• Sorrisos canónicos: C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCC(=O)O
• IUPAC Name: 3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid
• InChIKey: ULKNJYDXLYMGFB-UHFFFAOYSA-N
• INCHI: 1S/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)
• SMILES isoméricas: C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCC(=O)O
• RTECS: NI9570000
• PubChem CID: 2872155
• Peso molecular: 264.3
• Reaxy-Rn: 384875

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: N-phenylthioureas Alpha amino acids and derivatives Imidazolidinones Thioureas Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylimidazolidine - Alpha-amino acid or derivatives - N-phenylthiourea - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Thiourea - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl 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

Propriedades químicas e físicas

• Solubilidade: Solubility (soluble in) Methanol
• Ponto de fusão (°C): 175 °C
• Peso molecular: 264.300 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 264.057 Da
• Monoisotopic Mass: 264.057 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 366.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5624-27-1, the molecular formula is C12H12N2O3S, and the molecular weight is 264.3 g/mol. InChIKey ULKNJYDXLYMGFB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.