2-(Methylthio)-3-ethylpyrazine
Properties
- Molecular formula
- C7H10N2S
- Molar mass
- 154.23 g/mol
- Exact mass
- 154.0565 Da
- Boiling point
- 234–236 °C
- logP
- 1.76Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage97.4% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
72987-62-3SMILES
CCc1nccnc1SCInChIKey
XYHPPOMSLGJAAM-UHFFFAOYSA-NInChI
InChI=1S/C7H10N2S/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Pyrazine, 2-ethyl-3-(methylthio)-
- 2-Ethyl-3-(methylthio)pyrazine
- 2-Ethyl-3-methylthiopyrazine
- 2-Ethyl-3-(methylsulfanyl)pyrazine
Work with 2-(Methylthio)-3-ethylpyrazine
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,3-Diethylpyrazine15707-24-158 % similar
2-Ethyl-3-methylpyrazine15707-23-048 % similar
2-Methyl-3-(methylthio)pyrazine2882-20-448 % similar
Methyl(methylthio)pyrazine67952-65-248 % similar
2-Ethyl-3-methoxypyrazine25680-58-444 % similar
2-Ethoxy-3-ethylpyrazine35243-43-742 % similar
2-Acetyl-3-ethylpyrazine32974-92-840 % similar
3-Methylthio-1,2,4-triazine28735-21-935 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.