chempirical

Pyrazinemethanethiol

C5H6N2SCAS 59021-02-2126.18 g/mol

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Thiol

Properties

Molecular formula
C5H6N2S
Molar mass
126.18 g/mol
Exact mass
126.0252 Da
logP
0.91Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
59021-02-2
SMILES
SCc1cnccn1
InChIKey
VQFGDOHENLRPFB-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2S/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2

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Names and synonyms

4 names
  • 2-Pyrazinemethanethiol
  • Pyrazinylmethyl mercaptan
  • 2-(Mercaptomethyl)pyrazine
  • (Pyrazin-2-yl)methanethiol

Work with Pyrazinemethanethiol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pyrazineethanethiol35250-53-462 % similar 2-Ethylpyrazine13925-00-354 % similar 2-Pyrazinemethanol6705-33-554 % similar Propylpyrazine18138-03-950 % similar Isobutylpyrazine29460-92-248 % similar 2-Pyridinemethanethiol2044-73-748 % similar Methylpyrazine109-08-037 % similar Chloropyrazine14508-49-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Methylthio)pyrazine21948-70-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook