chempirical

2-(Methylthio)pyrazine

C5H6N2SCAS 21948-70-9126.18 g/mol

Open in Covalent MOL file
SNN
Sulfide

Properties

Molecular formula
C5H6N2S
Molar mass
126.18 g/mol
Exact mass
126.0252 Da
Melting point
45–47.5 °C
logP
1.20Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
21948-70-9
SMILES
CSc1cnccn1
InChIKey
KBPBOWBQRUXMFV-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Pyrazine, 2-(methylthio)-
  • Pyrazine, (methylthio)-
  • 2-Methylmercaptopyrazine
  • Methyl pyrazinyl sulfide
  • (Methylthio)pyrazine
  • Pyrazinyl methyl sulfide
  • 2-Methylsulfanylpyrazine
  • 2-(Methylsulfanyl)pyrazine

Work with 2-(Methylthio)pyrazine

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

2-(Methylthio)pyridine18438-38-548 % similar Methylpyrazine109-08-042 % similar 2-Ethylpyrazine13925-00-338 % similar 2-Methyl-3-(methylthio)pyrazine2882-20-438 % similar Isopropylpyrazine29460-90-038 % similar 2-Methoxypyrazine3149-28-838 % similar tert-Butylpyrazine32741-11-038 % similar Chloropyrazine14508-49-737 % similar

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

Same formula

Pyrazinemethanethiol59021-02-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook