2-Ethyl-3-(methylthio)pyrazine - ≥98% , CAS No.72987-62-3

CAS: 72987-62-3 Cat. No.: E156375 Formula: C₇H₁₀N₂S Peso molecolare: 154.23 Numero EC: 277-191-4

QUALITÀ & PUREZZA ≥98%

Synonyms

DTXSID7072701 | Q27276209 | EINECS 277-191-4 | FS-1048 | XYHPPOMSLGJAAM-UHFFFAOYSA-N | 2-ethyl-3-methylthio pyrazine | SCHEMBL301725 | 2-Ethyl-3-(methylthio)pyrazine | MFCD00038027 | Q27155660 | D7F04498AY | 2-Ethyl-3-methylthiopyrazine, 97% | Pyrazine, 3

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

DTXSID7072701 | Q27276209 | EINECS 277-191-4 | FS-1048 | XYHPPOMSLGJAAM-UHFFFAOYSA-N | 2-ethyl-3-methylthio pyrazine | SCHEMBL301725 | 2-Ethyl-3-(methylthio)pyrazine | MFCD00038027 | Q27155660 | D7F04498AY | 2-Ethyl-3-methylthiopyrazine, 97% | Pyrazine, 3

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488188487

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188487

Sorrisi canonici

CCC1=NC=CN=C1SC

IUPAC Name

2-ethyl-3-methylsulfanylpyrazine

InChIKey

XYHPPOMSLGJAAM-UHFFFAOYSA-N

INCHI

1S/C7H10N2S/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3

Isomeri SMILES

CCC1=NC=CN=C1SC

Peso molecolare

154.23

Reaxy-Rn

30993375

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30993375&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: Alkylarylthioethers Pyrazines Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Alkylarylthioether - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.57
• Punto di infiammabilità (°C): 96 °C
• Peso molecolare: 154.240 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.056 Da
• Monoisotopic Mass: 154.056 Da
• Topological Polar Surface Area: 51.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 97.600
• 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