2-(Ethylthio)pyrimidine-5-carbaldehyde - Reagent grade , CAS No.876890-28-7

CAS: 876890-28-7 Cat. No.: E479625 Summenformel: C₇H₈N₂OS Molekulargewicht: 168.22 EG-Nummer: 154-400-6

GRADE & PURITY Reagent Grade

Synonyms

F16713 | SB57380 | SCHEMBL7996237 | 2-(ETHYLTHIO)PYRIMIDINE-5-CARBALDEHYDE | 2-Ethylsulfanyl-pyrimidine-5-carbaldehyde | 2-ethylsulfanylpyrimidine-5-carbaldehyde | FT-0734639 | AS-47893 | 2-(Ethylthio)-5-pyrimidinecarbaldehyde | 2-(Ethylthio)pyrimidine-5-

Storage

Room temperature

Specifications

Synonyme

F16713 | SB57380 | SCHEMBL7996237 | 2-(ETHYLTHIO)PYRIMIDINE-5-CARBALDEHYDE | 2-Ethylsulfanyl-pyrimidine-5-carbaldehyde | 2-ethylsulfanylpyrimidine-5-carbaldehyde | FT-0734639 | AS-47893 | 2-(Ethylthio)-5-pyrimidinecarbaldehyde | 2-(Ethylthio)pyrimidine-5-

Spezifikationen & Reinheit

Reagent grade

Rechtliche Informationen

Product of ChemBridge Corp.

Storage

Room temperature

Note

Reagent Grade

Namen und Kennungen

• Kanonisches Lächeln: CCSC1=NC=C(C=N1)C=O
• IUPAC Name: 2-ethylsulfanylpyrimidine-5-carbaldehyde
• InChIKey: GFSPUASKPCHMEW-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2OS/c1-2-11-7-8-3-6(5-10)4-9-7/h3-5H,2H2,1H3
• Isomere SMILES: CCSC1=NC=C(C=N1)C=O
• Molekulargewicht: 168.22
• Reaxy-Rn: 28789603
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28789603&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Aryl-aldehydes Alkylarylthioethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Aryl-aldehyde - Alkylarylthioether - Pyrimidine - Heteroaromatic compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organic oxide - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 168.220 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 168.036 Da
• Monoisotopic Mass: 168.036 Da
• Topological Polar Surface Area: 68.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 124.000
• 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

What does Reagent Grade mean?

Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 876890-28-7, the molecular formula is C7H8N2OS, and the molecular weight is 168.22 g/mol. InChIKey GFSPUASKPCHMEW-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.