4-Thiouracil - ≥97% , CAS No.591-28-6

CAS: 591-28-6 Cat. No.: T123214 Formule: C₄H₄N₂OS Poids moléculaire: 128.15 Beilstein Registry Number: 24(5)6,370 Numéro CE: 627-565-1 PubChem CID: 2734394

GRADE & PURITY ≥97%

Synonyms

SY050615 | AKOS005256998 | NSC43288 | NSC-43288 | LDB | 4-sulfanylidene-1H-pyrimidin-2-one | A832178 | 3,4-Dihydro-4-thioxo-2(1H)-pyrimidinone | BBL101106 | STL554902 | Q20892040 | AKOS006229660 | FT-0721260 | 2-Hydroxy-4(1H)-pyrimidinethione | MFCD000908

Storage

Room temperature,Desiccated

Shipped In

Normal

Vue d’ensemble

Product Describtion:

4-thiouracil is a suitable reagent for use in the Schneider medium for embryos during RNA extraction. It can be used as a reagent in the Northwestern blotting technique

Specifications

Synonymes

SY050615 | AKOS005256998 | NSC43288 | NSC-43288 | LDB | 4-sulfanylidene-1H-pyrimidin-2-one | A832178 | 3,4-Dihydro-4-thioxo-2(1H)-pyrimidinone | BBL101106 | STL554902 | Q20892040 | AKOS006229660 | FT-0721260 | 2-Hydroxy-4(1H)-pyrimidinethione | MFCD000908

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1=CNC(=O)NC1=S
• IUPAC Name: 4-sulfanylidene-1H-pyrimidin-2-one
• InChIKey: OVONXEQGWXGFJD-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
• Isomères SMILES: C1=CNC(=O)NC1=S
• WGK Allemagne: 3
• PubChem CID: 2734394
• Poids moléculaire: 128.15
• Beilstein: 24(5)6,370
• Reaxy-Rn: 112228

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Pyrimidinethiones Hydropyrimidines Thiolactams Heteroaromatic compounds Ureas Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidinethione - Pyrimidone - Hydropyrimidine - Thiolactam - Heteroaromatic compound - Urea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Dimethylformamide and NaOH
• Point de fusion (°C): 295°C
• Poids moléculaire: 128.150 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.004 Da
• Monoisotopic Mass: 128.004 Da
• Topological Polar Surface Area: 73.200 Ų
• Heavy Atom Count: 8
• 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