2-Mercaptopyrazine - ≥97%(HPLC) , CAS No.38521-06-1

CAS: 38521-06-1 Cat. No.: M170065 Formule: C₄H₄N₂S Poids moléculaire: 112.15 Numéro CE: 809-117-9

QUALITÉ & PURETÉ ≥97%(HPLC)

Synonyms

1H-pyrazine-2-thione | Pyrazine-2(1H)-thione | pyrazine-2-thiol | mercaptopyrazine | FT-0691851 | AKOS008093149 | AM100749 | MFCD00235012 | 1,2-dihydropyrazine-2-thione | DTXSID20395425 | 2-Mercaptopyrazine | 2-pyrazinethiol | Q-200298 | 2(1H)-Pyrazinethi

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

1H-pyrazine-2-thione | Pyrazine-2(1H)-thione | pyrazine-2-thiol | mercaptopyrazine | FT-0691851 | AKOS008093149 | AM100749 | MFCD00235012 | 1,2-dihydropyrazine-2-thione | DTXSID20395425 | 2-Mercaptopyrazine | 2-pyrazinethiol | Q-200298 | 2(1H)-Pyrazinethi

Spécifications et pureté

≥97%(HPLC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%(HPLC)

Noms et identifiants

Pubchem Sid

504762677

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762677

Sourires canoniques

C1=CN=CC(=S)N1

IUPAC Name

1H-pyrazine-2-thione

InChIKey

HKAVADYDPYUPRD-UHFFFAOYSA-N

INCHI

1S/C4H4N2S/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)

Isomères SMILES

C1=CN=CC(=S)N1

Poids moléculaire

112.15

Reaxy-Rn

106973

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106973&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Thiolactams Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Heteroaromatic compound - Thiolactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• 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

• Sensibilité: Air Sensitive,Heat Sensitive
• Point de fusion (°C): 213 °C(dec.)
• Poids moléculaire: 112.160 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.01 Da
• Monoisotopic Mass: 112.01 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 137.000
• 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 is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 38521-06-1, the molecular formula is C4H4N2S, and the molecular weight is 112.15 g/mol. InChIKey HKAVADYDPYUPRD-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.