chempirical

Methyl(methylthio)pyrazine

C6H8N2SCAS 67952-65-2140.20 g/mol

Open in Covalent MOL file
NNS
Sulfide

Properties

Molecular formula
C6H8N2S
Molar mass
140.20 g/mol
Exact mass
140.0408 Da
logP
1.51Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
67952-65-2
SMILES
CC1=NC=CN=C1SC
InChIKey
PPPFFGVGWFKTHX-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • Pyrazine, methyl(methylthio)-

Work with Methyl(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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Methyl-3-(methylthio)pyrazine2882-20-4

Similar compounds

2,3-Dimethylpyrazine5910-89-452 % similar 2-(Methylthio)-3-ethylpyrazine72987-62-348 % similar 3-Methyl-2-pyrazinamine19838-08-541 % similar 2-Chloro-3-methylpyrazine95-58-941 % similar 2-[(2-Furanylmethyl)thio]-3-methylpyrazine59303-07-041 % similar 2-Methoxy-3-methylpyrazine2847-30-539 % similar 3-Methylthio-1,2,4-triazine28735-21-939 % similar 2-Ethyl-3-methylpyrazine15707-23-038 % similar

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

Same formula

3,3′-Thiodipropionitrile111-97-7 4-Methyl-2-(methylthio)pyrimidine14001-63-9 4,6-Dimethyl-2-mercaptopyrimidine22325-27-5 Pyrazineethanethiol35250-53-4

Elsewhere

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