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

CAS: 35250-53-4 Cat. No.: M103122 Molecular Weight: 140.21 Beilstein Registry Number: 23(5)11,172 EC Number: 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

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-

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CN=C(C=N1)CCS
• WGK Germany: 3
• RTECS: KJ2551000
• UN Number: 2810
• Molecular Weight: 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
    • Class Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• 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
• Refractive Index: 1.567
• Flash Point(°F): 113 °C
• Flash Point(°C): 113°C
• Boil Point(°C): 105-110°C
• Molecular Weight: 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

References

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]