Introduction：Basic information about CAS 17617-05-9|3-Pyridinylmethanethiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Pyridinylmethanethiol |
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| CAS Number | 17617-05-9 | Molecular Weight | 125.191 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 231.4±15.0 °C at 760 mmHg |
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| Molecular Formula | C6H7NS | Melting Point | / |
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| MSDS | / | Flash Point | 93.7±20.4 °C |
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Names
| Name | pyridin-3-ylmethanethiol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 231.4±15.0 °C at 760 mmHg |
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| Molecular Formula | C6H7NS |
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| Molecular Weight | 125.191 |
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| Flash Point | 93.7±20.4 °C |
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| Exact Mass | 125.029922 |
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| PSA | 51.69000 |
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| LogP | 1.25 |
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| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
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| Index of Refraction | 1.571 |
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| InChIKey | MBXKCLHOVPXMCJ-UHFFFAOYSA-N |
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| SMILES | SCc1cccnc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UT4680000
- CHEMICAL NAME :
- 3-Pyridinemethanethiol
- CAS REGISTRY NUMBER :
- 17617-05-9
- BEILSTEIN REFERENCE NO. :
- 0001870
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C6-H7-N-S
- MOLECULAR WEIGHT :
- 125.20
- WISWESSER LINE NOTATION :
- T6NJ C1SH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 184 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 238,116,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 11,242,1956
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Safety Information
Customs
| HS Code | 2933399090 |
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| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 5-Mercaptomethylpyridine |
| 3-Pyridylmethyl mercaptan |
| pyridin-3-yl-methanethiol |
| 3-mercaptomethylpyridine |
| 5-Mercaptomethyl-pyridin |
| 3-Pyridylmethanethiol |
| 3-Pyridinemethanethiol |
| 3-picolyl mercaptan |
| 3-Pyridinylmethanethiol |
| pyridin-3-yl-methanthiol |
