2-Thiobarbituric acid - Moligand™, ≥98% , CAS No.504-17-6

CAS: 504-17-6 Cat. No.: T108505 Fórmula: C₄H₄N₂O₂S Peso molecular: 144.15 Beilstein Registry Number: 120663 Número EC: 207-985-8

GRADE & PURITY Moligand™, ≥98%

Synonyms

NSC 4733 | NSC 4733 | 4,6-Dihydroxypyrimidine-2-thiol | 2-Mercaptopyrimidine-4,6-dione | 4,6-Dihydroxy-2-mercaptopyrimidine

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

2-Thiobarbituric acid is a molecule made up of heteroatoms: nitrogen, sulphur and oxygen
Quantitating lipopolysaccharides, carrageenan, and sialic acids; used to detect lipid hydroperoxides and lipid oxidation

Specifications

Sinónimos

NSC 4733 | NSC 4733 | 4,6-Dihydroxypyrimidine-2-thiol | 2-Mercaptopyrimidine-4,6-dione | 4,6-Dihydroxy-2-mercaptopyrimidine

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

2-Thiobarbituric acid (TBA) is useful to quantitate lipopolysaccharides, carrageenan, and sialic acids. It is also used to detect lipid hydroperoxides and lipid oxidation.[1] It has applications in the field of medicine and biochemistry. TBA may possess t

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504760788

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760788

Sonrisas canónicas

C1C(=O)NC(=S)NC1=O

IUPAC Name

2-sulfanylidene-1,3-diazinane-4,6-dione

InChIKey

RVBUGGBMJDPOST-UHFFFAOYSA-N

INCHI

1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)

Isómeros SMILES

C1C(=O)NC(=S)NC1=O

WGK Alemania

2

RTECS

CQ7700000

CAS alternativo

956086-95-6

Número ONU

3335

Peso molecular

144.15

Beilstein

120663

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidones
          • Level6 Thiobarbituric acid derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidones
• Direct Parent: Thiobarbituric acid derivatives
• Alternative Parents: Diazinanes 1,3-dicarbonyl compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thiobarbiturate - 1,3-diazinane - 1,3-dicarbonyl compound - Thiourea - Carboxylic acid derivative - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiobarbituric acid derivatives. These are organic compounds containing a 2-thioxodihydropyrimidine-4,6(1H,5H)-dione skeleton.
• External Descriptors: barbiturates

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

• Solubilidad: Soluble in hot water.
• Sensibilidad: Light & Air Sensitive ;Hygroscopic
• Punto de fusión (°C): 235°C
• Peso molecular: 144.150 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 143.999 Da
• Monoisotopic Mass: 143.999 Da
• Topological Polar Surface Area: 90.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 171.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 504-17-6, the molecular formula is C4H4N2O2S, and the molecular weight is 144.15 g/mol. InChIKey RVBUGGBMJDPOST-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.