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CAS No.: | 2882-20-4 |
---|---|
Name: | 2-Methyl-3-(methylthio)pyrazine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H8N2S |
Molecular Weight: | 140.209 |
Synonyms: | 2-Methyl-3-methylmercaptopyrazine;2-Methylmercapto-3-methylpyrazine;2-Methylthio-3-methylpyrazine;3-Methyl-2-methylthiopyrazine;NSC 222757; |
EINECS: | 220-736-8 |
Density: | 1.148 g/cm3 |
Boiling Point: | 221.007 °C at 760 mmHg |
Flash Point: | 87.462 °C |
Appearance: | clear colorless liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 51.08000 |
LogP: | 1.50690 |
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The Pyrazine,2-methyl-3-(methylthio)-, with the CAS registry number 2882-20-4, is also known as (Methylthio)(methyl)pyrazine. It belongs to the product categories of Heterocyclic Compounds; Mono- & Polyalkylpyrazines; Pyrazines; Building Blocks; Heterocyclic Building Blocks. Its EINECS registry number is 220-736-8. This chemical's molecular formula is C6H8N2S and molecular weight is 140.21. What's more, both its IUPAC name and systematic name are the same which is called 2-Methyl-3-(methylsulfanyl)pyrazine. It should be stored in a cool and dry place.
Physical properties about Pyrazine,2-methyl-3-(methylthio)- are: (1)ACD/LogP: 1.698; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.70; (4)ACD/LogD (pH 7.4): 1.70; (5)ACD/BCF (pH 5.5): 11.50; (6)ACD/BCF (pH 7.4): 11.50; (7)ACD/KOC (pH 5.5): 199.88; (8)ACD/KOC (pH 7.4): 199.89; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.08 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 39.612 cm3; (15)Molar Volume: 122.099 cm3; (16)Surface Tension: 50.46 dyne/cm; (17)Density: 1.148 g/cm3; (18)Flash Point: 87.462 °C; (19)Enthalpy of Vaporization: 43.882 kJ/mol; (20)Boiling Point: 221.007 °C at 760 mmHg; (21)Vapour Pressure: 0.16 mmHg at 25 °C.
Preparation of Pyrazine,2-methyl-3-(methylthio)-: this chemical can be prepared by 2-chloro-3-methyl-pyrazine with methanethiol. The reaction occurs with reagent sodium ethoxide and other condition of heating for 2 hours. The yield is 92 %.
Uses of Pyrazine,2-methyl-3-(methylthio)-: (1) it can be used in food as spices and it also can be used as a flavoring agent in coffee; (2) it is used to produce other chemicals. For example, it can produce 3-methylsulfanyl-pyrazine-2-carbaldehyde. The reaction occurs with reagent SeO2 and other condition of heating for 6 hours. The yield is 62 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: S(c1nccnc1C)C
(2) InChI: InChI=1S/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
(3) InChIKey: PPPFFGVGWFKTHX-UHFFFAOYSA-N