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

CAS: 35250-53-4 Cat. No.: M103122 Summenformel: C₆H₈N₂S Molekulargewicht: 140.21 Beilstein Registry Number: 23(5)11,172 EG-Nummer: 609-107-2

GRADE & PURITY ≥98%

Synonyms

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

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508808050
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CN=C(C=N1)CCS
• WGK Deutschland: 3
• RTECS: KJ2551000
• UN-Nummer: 2810
• Molekulargewicht: 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
    • Klasse Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Brechungsindex: 1.567
• Flammpunkt (°F): 113 °C
• Flammpunkt (°C): 113°C
• Siedepunkt (°C): 105-110°C
• Molekulargewicht: 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