(2-Mercaptoethyl)pyrazine - ≥98% , CAS No.35250-53-4

CAS: 35250-53-4 Cat. No.: M103122 Peso molecular: 140.21 Beilstein Registry Number: 23(5)11,172 Número EC: 609-107-2

GRADE & PURITY ≥98%

Synonyms

AMY23174 | Tox21_302691 | pyrazine ethanethiol | T72349 | EN300-1699993 | DTXSID2025977 | 2-PYRAZINE ETHANETHIOL | 2-Pyrazinylethanethiol | FEMA 3230 | UNII-F7I6G0E56F | (2-Mercaptoethyl)pyrazine | 2-pyrazineethane thiol | 2-pyrazin-2-ylethanethiol | CAS-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AMY23174 | Tox21_302691 | pyrazine ethanethiol | T72349 | EN300-1699993 | DTXSID2025977 | 2-PYRAZINE ETHANETHIOL | 2-Pyrazinylethanethiol | FEMA 3230 | UNII-F7I6G0E56F | (2-Mercaptoethyl)pyrazine | 2-pyrazineethane thiol | 2-pyrazin-2-ylethanethiol | CAS-

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CN=C(C=N1)CCS
• IUPAC Name: 2-pyrazin-2-ylethanethiol
• InChIKey: QKVWBAMZPUHCMO-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2
• Isómeros SMILES: C1=CN=C(C=N1)CCS
• WGK Alemania: 3
• RTECS: KJ2551000
• Número ONU: 2810
• Peso molecular: 140.21
• Beilstein: 23(5)11,172
• Reaxy-Rn: 774932
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774932&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: Heteroaromatic compounds Azacyclic compounds Alkylthiols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Heteroaromatic compound - Azacycle - Alkylthiol - Organic nitrogen compound - Organopnictogen 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
• Índice de refracción: 1.567
• Punto de inflamación (°F): 113 °C
• Punto de inflamación (°C): 113°C
• Punto de ebullición (°C): 105-110°C
• Peso molecular: 140.210 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.041 Da
• Monoisotopic Mass: 140.041 Da
• Topological Polar Surface Area: 26.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.500
• 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. Jiarui Li, Hao Wang, Nan Zhao, Shuai Tang, Jiancheng Xu, Xinhua Guo.  (2025)  Rapid identification of Carbapenem-Resistant bacteria by MALDI-TOF-MS via a specifically designed probe.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.114300]