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

CAS: 5624-08-8 Cat. No.: P331415 Formule: C₁₁H₁₁N₃O₂S Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528766711

Sourires canoniques

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)

Isomères SMILES

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

PubChem CID

3034582

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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