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

CAS: 876890-28-7 Cat. No.: E479625 Formule: C₇H₈N₂OS Poids moléculaire: 168.22 Numéro CE: 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

Synonymes

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-

Spécifications et pureté

Reagent grade

Informations juridiques

Product of ChemBridge Corp.

Conditions de stockage de stockage

Room temperature

Grade

Reagent Grade

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CCSC1=NC=C(C=N1)C=O

Poids moléculaire

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
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.