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

CAS: 72987-62-3 Cat. No.: E156375 분자식: C₇H₁₀N₂S 분자량: 154.23 EC 번호: 277-191-4

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488188487

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CCC1=NC=CN=C1SC

분자량

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
    • 분류 Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 굴절률: 1.57
• 발화점(°C): 96 °C
• 분자량: 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