Ethyl 2-thiouracil-5-carboxylate - ≥95% , CAS No.38026-46-9

CAS: 38026-46-9 Cat. No.: E170021 Summenformel: C₇H₈N₂O₃S Molekulargewicht: 200.217

GRADE & PURITY ≥95%

Synonyms

A18706 | SB58952 | Ethyl 2-thiouracil-5-carboxylate | ethyl 4-oxo-2-thioxo-1H-pyrimidine-5-carboxylate | 5-Ethoxycarbonyl-2-thiouracil | AKOS001457140 | CCG-45725 | ethyl 4-hydroxy-2-sulfanylpyrimidine-5-carboxylate | FT-0613453 | HMS1522A13 | 4-Hydroxy-2

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

A18706 | SB58952 | Ethyl 2-thiouracil-5-carboxylate | ethyl 4-oxo-2-thioxo-1H-pyrimidine-5-carboxylate | 5-Ethoxycarbonyl-2-thiouracil | AKOS001457140 | CCG-45725 | ethyl 4-hydroxy-2-sulfanylpyrimidine-5-carboxylate | FT-0613453 | HMS1522A13 | 4-Hydroxy-2

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488191314

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191314

Kanonisches Lächeln

CCOC(=O)C1=CNC(=S)NC1=O

IUPAC Name

ethyl 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate

InChIKey

FQFSHLBWRUOCPX-UHFFFAOYSA-N

INCHI

1S/C7H8N2O3S/c1-2-12-6(11)4-3-8-7(13)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,13)

Isomere SMILES

CCOC(=O)C1=CNC(=S)NC1=O

Molekulargewicht

200.217

Reaxy-Rn

190867

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=190867&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Ebene5 Pyrimidinecarboxylic acids and derivatives
          • Ebene6 Pyrimidinecarboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidinecarboxylic acids and derivatives
• Direct Parent: Pyrimidinecarboxylic acids
• Alternative Parents: Hydropyrimidine carboxylic acids and derivatives Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Vinylogous amides Heteroaromatic compounds Thioureas Carboxylic acid esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Thiourea - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
• 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

Zugehörige Ziele (nicht menschlich)

Escherichia coli (133304 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): ca 250° dec.
• Molekulargewicht: 200.220 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 200.026 Da
• Monoisotopic Mass: 200.026 Da
• Topological Polar Surface Area: 99.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 298.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 38026-46-9, the molecular formula is C7H8N2O3S, and the molecular weight is 200.217 g/mol. InChIKey FQFSHLBWRUOCPX-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.