Sodium 2-Thiobarbiturate - ≥98%(T) , CAS No.31645-12-2

CAS: 31645-12-2 Cat. No.: S161323 Summenformel: C₄H₃N₂NaO₂S Molekulargewicht: 166.13 PubChem CID: 56924476

GRADE & PURITY ≥98%(T)

Synonyms

2-Thiobarbituric Acid Sodium Salt | AKOS015854533 | LHWPSDLHLAAELL-UHFFFAOYSA-N | Sodium 2-Thiobarbiturate | 2-THIOBARBITURIC ACID, SODIUM DERIVATIVE

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-Thiobarbituric Acid Sodium Salt | AKOS015854533 | LHWPSDLHLAAELL-UHFFFAOYSA-N | Sodium 2-Thiobarbiturate | 2-THIOBARBITURIC ACID, SODIUM DERIVATIVE

Spezifikationen & Reinheit

≥98%(T)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(T)

Namen und Kennungen

• Pubchem Sid: 488201784
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201784
• Kanonisches Lächeln: C1C(=O)NC(=S)NC1=O.[Na]
• InChIKey: LHWPSDLHLAAELL-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2O2S.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9)
• Isomere SMILES: C1C(=O)NC(=S)NC1=O.[Na]
• PubChem CID: 56924476
• Molekulargewicht: 166.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Ebene5 Pyrimidones
          • Ebene6 Thiobarbituric acid derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidones
• Direct Parent: Thiobarbituric acid derivatives
• Alternative Parents: Diazinanes 1,3-dicarbonyl compounds Thioureas Organic alkali metal salts Carboxylic acids and derivatives Azacyclic 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 - Organic alkali metal salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: 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: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 167.140 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 166.989 Da
• Monoisotopic Mass: 166.989 Da
• Topological Polar Surface Area: 90.300 Ų
• Heavy Atom Count: 10
• 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: 2

XLogP3

Häufig gestellte Fragen

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 31645-12-2, the molecular formula is C4H3N2NaO2S, and the molecular weight is 166.13 g/mol. InChIKey LHWPSDLHLAAELL-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.