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

CAS: 38521-06-1 Cat. No.: M170065 Molecular Weight: 112.15 EC Number: 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

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

Specifications & Purity

≥97%(HPLC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 504762677
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762677
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CN=CC(=S)N1
• Molecular Weight: 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
    • Class Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Heat Sensitive
• Melt Point(°C): 213 °C(dec.)
• Molecular Weight: 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

References

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]