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Cas Database |
| Name |
2-Mercaptomethylpyrazine |
EINECS | N/A |
| CAS No. | 59021-02-2 | Density | 1.188 g/cm3 |
| PSA | 64.58000 | LogP | 0.90640 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H6N2S | Boiling Point | 224.816 °C at 760 mmHg |
| Molecular Weight | 126.182 | Flash Point | 89.766 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Pyrazinemethanethiol(9CI);2-(Mercaptomethyl)pyrazine;Pyrazinylmethyl mercaptan;2-Pyrazinemethanethiol; |
Article Data | 6 |
2-Mercaptomethylpyrazine Synthetic route
- 82081-56-9
2-Pyrazin-2-ylmethyl-isothiourea; hydrochloride
- 59021-02-2
2-(mercaptomethyl)pyrazine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water for 1h; Heating; Yield given; |
- 82081-56-9
2-Pyrazin-2-ylmethyl-isothiourea; hydrochloride
- 59021-02-2
2-(mercaptomethyl)pyrazine
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 70℃; |
- 109-08-0
2-Methylpyrazine
- 59021-02-2
2-(mercaptomethyl)pyrazine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: N-chlorosuccinimide, benzoyl peroxide / CCl4 / 21 h / Heating 2: 7 g / thiourea / methanol / 1 h / Heating 3: sodium hydroxide / H2O / 1 h / Heating View Scheme |
- 39204-47-2
2-(chloromethyl)pyrazine
- 59021-02-2
2-(mercaptomethyl)pyrazine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 7 g / thiourea / methanol / 1 h / Heating 2: sodium hydroxide / H2O / 1 h / Heating View Scheme |
- 73763-95-8
pyrazin-2-ylmethyl methanesulfonate
- 59021-02-2
2-(mercaptomethyl)pyrazine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: acetone / 50 °C 2: potassium hydroxide / tetrahydrofuran; water / 1 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: acetone / 60 °C 2: potassium hydroxide; water / tetrahydrofuran / 1 h / 20 °C View Scheme |
- 59021-02-2
2-(mercaptomethyl)pyrazine
| Conditions | Yield |
|---|---|
| With potassium hydroxide In tetrahydrofuran; water at 20℃; for 1h; | |
| With water; potassium hydroxide In tetrahydrofuran at 20℃; for 1h; |
- 6705-33-5
pyrazin-2-ylmethanol
- 59021-02-2
2-(mercaptomethyl)pyrazine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: triethylamine / dichloromethane / 2 h / 20 °C 2: acetone / 50 °C 3: potassium hydroxide / tetrahydrofuran; water / 1 h / 20 °C View Scheme | |
| Multi-step reaction with 3 steps 1: triethylamine / dichloromethane / 2.17 h / 20 °C 2: acetone / 60 °C 3: potassium hydroxide; water / tetrahydrofuran / 1 h / 20 °C View Scheme |
- 59021-02-2
2-(mercaptomethyl)pyrazine
- 163008-81-9
diphenylmethyl 7β-formamido-3-[(pyrazin-2-yl)methylthio]-3-cephem-4-carboxylate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at -20℃; for 0.75h; substitution; | 84% |
- 59021-02-2
2-(mercaptomethyl)pyrazine
| Conditions | Yield |
|---|---|
| With diimidazolylsulfide at 0 - 25℃; | 60% |
- 109-70-6
1,3-chlorobromopropane
- 59021-02-2
2-(mercaptomethyl)pyrazine
- 82081-55-8
2-(3-Chloro-propylsulfanylmethyl)-pyrazine
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
2-Mercaptomethylpyrazine Chemical Properties
Molecular structure of 2-Pyrazinemethanethiol (CAS NO.59021-02-2) is:
Product Name: 2-Pyrazinemethanethiol
CAS Registry Number: 59021-02-2
IUPAC Name: pyrazin-2-ylmethanethiol
Molecular Weight: 126.17954 [g/mol]
Molecular Formula: C5H6N2S
XLogP3: 0
H-Bond Donor: 0
H-Bond Acceptor: 2
Index of Refraction: 1.577
Molar Refractivity: 35.24 cm3
Molar Volume: 106.2 cm3
Surface Tension: 51.2 dyne/cm
Density: 1.187 g/cm3
Flash Point: 89.8 °C
Enthalpy of Vaporization: 44.26 kJ/mol
Boiling Point: 224.8 °C at 760 mmHg
Vapour Pressure: 0.134 mmHg at 25°C
Product Categories: pyrazine Flavor
2-Mercaptomethylpyrazine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 515, 1983. | |
| rat | LD50 | oral | 1700mg/kg (1700mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 4, 1990. |
2-Mercaptomethylpyrazine Specification
2-Pyrazinemethanethiol , its cas register number is 59021-02-2. It also can be called 2-Mercaptomethylpyrazine ; 5-23-11-00154 (Beilstein Handbook Reference) ; BRN 0878425 ; FEMA No. 3299 ; Pyrazine, 2-mercaptomethyl- ; Pyrazinylmethyl mercaptan ; Pyrazinemethanethiol .
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