Introduction：Basic information about CAS 59021-02-2|2-Pyrazinylmethanethiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Pyrazinylmethanethiol |
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| CAS Number | 59021-02-2 | Molecular Weight | 126.179 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 224.8±25.0 °C at 760 mmHg |
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| Molecular Formula | C5H6N2S | Melting Point | / |
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| MSDS | / | Flash Point | 89.8±23.2 °C |
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Names
| Name | pyrazin-2-ylmethanethiol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 224.8±25.0 °C at 760 mmHg |
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| Molecular Formula | C5H6N2S |
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| Molecular Weight | 126.179 |
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| Flash Point | 89.8±23.2 °C |
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| Exact Mass | 126.025169 |
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| PSA | 64.58000 |
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| LogP | 0.24 |
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| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
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| Index of Refraction | 1.578 |
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| InChIKey | VQFGDOHENLRPFB-UHFFFAOYSA-N |
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| SMILES | SCc1cnccn1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UQ3619900
- CHEMICAL NAME :
- Pyrazinemethanethiol
- CAS REGISTRY NUMBER :
- 59021-02-2
- BEILSTEIN REFERENCE NO. :
- 0878425
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C5-H6-N2-S
- MOLECULAR WEIGHT :
- 126.19
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1700 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Lungs, Thorax, or Respiration - other changes Kidney, Ureter, Bladder - other changes
- REFERENCE :
- ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,4,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 18,515,1983
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Synonyms
| 2-Pyrazinemethanethiol |
| Pyrazinylmethyl mercaptan |
| pyrazin-2-yl-methanethiol |
| 2-(mercaptomethyl)pyrazine |
| FEMA No. 3299 |
| 2-Pyrazinylmethanethiol |
| Pyrazinemethanethiol |
| Pyrazin-2-ylmethanethiol |
| Mercaptomethyl pyrazine |
| Pyrazine,2-mercaptomethyl |
