Pyrazine, 2-methyl-3-phenylthio

Base Information

• Chemical Name: Pyrazine, 2-methyl-3-phenylthio
• CAS No.: 91091-02-0
• Molecular Formula: C11H10 N2 S
• Molecular Weight: 0
• NSC Number: 57165
• DSSTox Substance ID: DTXSID50288654
• Nikkaji Number: J601.743F
• Wikidata: Q27195704
• ChEMBL ID: CHEMBL1578483
• Mol file: 91091-02-0.mol

Synonyms:MLS000737319;Pyrazine, 2-methyl-3-phenylthio;91091-02-0;NSC57165;CHEMBL1578483;2-methyl-3-(phenylthio)pyrazine;3-methyl-2-(phenylthio)pyrazine;DTXSID50288654;2-Phenylmercapto-3-methylpyrazine;CHEBI:114307;VTUFUZBJQBYXKY-UHFFFAOYSA-N;NSC-57165;SMR000528264;Q27195704

Chemical Property of Pyrazine, 2-methyl-3-phenylthio

Chemical Property:

• Vapor Pressure: 0.00124mmHg at 25°C
• Boiling Point: 308.4°Cat760mmHg
• Flash Point: 140.3°C
• PSA: 51.08000
• Density: 1.21g/cm³
• LogP: 2.93620
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.05646950
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=NC=CN=C1SC2=CC=CC=C2