PTH-asparagine - ≥97% , CAS No.5624-08-8

CAS: 5624-08-8 Cat. No.: P331415 Fórmula: C₁₁H₁₁N₃O₂S Peso molecular: 249.29 PubChem CID: 3034582

GRADE & PURITY ≥97%

Synonyms

NSC96401 | NSC-96401 | 2-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetamide | Asparagine phenylthiohydantoin | 4-Imidazolidineacetamide, 5-oxo-1-phenyl-2-thioxo- | 5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetamide | Pth-asparagine | 2-(5-Oxo-1-phenyl-2-th

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

NSC96401 | NSC-96401 | 2-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetamide | Asparagine phenylthiohydantoin | 4-Imidazolidineacetamide, 5-oxo-1-phenyl-2-thioxo- | 5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetamide | Pth-asparagine | 2-(5-Oxo-1-phenyl-2-th

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528766711

Sorrisos canónicos

C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)N

IUPAC Name

2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide

InChIKey

ZQGVIKNSDQBZSS-UHFFFAOYSA-N

INCHI

1S/C11H11N3O2S/c12-9(15)6-8-10(16)14(11(17)13-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,13,17)

SMILES isoméricas

C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)N

PubChem CID

3034582

Peso molecular

249.29

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 Primary carboxylic acid amides 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 - Carboxamide group - Thiourea - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - 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

• Peso molecular: 249.290 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.057 Da
• Monoisotopic Mass: 249.057 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 353.000
• 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