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

CAS: 38521-06-1 Cat. No.: M170065 Peso molecular: 112.15 Número EC: 809-117-9

GRADE & PURITY ≥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

Specifications

Sinónimos

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

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504762677
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762677
• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=CN=CC(=S)N1
• Peso molecular: 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
    • Clase Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Heat Sensitive
• Punto de fusión (°C): 213 °C(dec.)
• Peso molecular: 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

Referencias

1. Zhaoguo Hong, Xin You, Jingjing Zhong, Di Yao, He-Dong Bian, Shulin Zhao, Liangliang Zhang, Hong Liang, Fu-Ping Huang.  (2023)  A mixed-valence biotinylated Cu(I/II) complex for tumor-targeted chemodynamic therapy accompanied by GSH depletion.  Inorganic Chemistry Frontiers,  10  (14): (4045-4053).  [PMID:] [10.1039/D3QI00254C]

2. Luyan Sun, Jiaxun Wan, Christian G. Schaefer, Zihao Zhang, Jing Tan, Jia Guo, Limin Wu, Changchun Wang.  (2017)  Specific On-site Assembly of Multifunctional Magnetic Nanocargos Based on Highly Efficient and Parallelized Bioconjugation: Toward Personalized Cancer Targeting Therapy.  ACS Biomaterials Science & Engineering,      [PMID:33465935] [10.1021/acsbiomaterials.6b00773]