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| CAS No.: | 6298-11-9 |
|---|---|
| Name: | 4-PYRIDINEETHANETHIOL HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C7H10ClNS |
| Molecular Weight: | 175.682 |
| Synonyms: | 4-Pyridineethanethiol,hydrochloride (6CI,8CI,9CI);4-(2-Mercaptoethyl)pyridine hydrochloride;2-(Pyridin-4-yl)ethanethiol hydrochloride (1:1); |
| Density: | 1.26g/cm3 |
| Melting Point: | 138-139 °C |
| Boiling Point: | 282.8 °C at 760 mmHg |
| Flash Point: | 124.8 °C |
| Appearance: | White-Yellow Crystalline Solid |
| Hazard Symbols: | Xi |
| Risk Codes: | 43-36/37/38 |
| Safety: | 36/37-36-26 |
| PSA: | 51.69000 |
| LogP: | 2.35590 |
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Specification
The 4-Pyridineethanethiol,hydrochloride (1:1), with the CAS registry number 6298-11-9, is also known as 4-(2-Mercaptoethyl)pyridine hydrochloride. It belongs to the product category of Sulfur & Selenium Compounds. This chemical's molecular formula is C7H10ClNS and molecular weight is 175.68. What's more, its systematic name is 2-(pyridin-4-yl)ethanethiol hydrochloride (1:1).
Physical properties of 4-Pyridineethanethiol,hydrochloride (1:1) are: (1)ACD/LogP:1.38; (2)# of Rule of 5 Violations:0; (3)#H bond acceptors:1; (4)#H bond donors:0; (5)#Freely Rotating Bonds:3; (6)Polar Surface Area:38.19 Å2; (7)Flash Point:124.8 °C; (8)Enthalpy of Vaporization:53.22 kJ/mol; (9)Boiling Point:282.8 °C at 760 mmHg; (10)Vapour Pressure:0.00251 mmHg at 25°C.
Uses of 4-Pyridineethanethiol,hydrochloride (1:1): it can be used to produce 4-(2-butylthioethyl)pyridine at the temperature of 20 °C. It will need reagent sodium ethoxide and solvent ethanol with the reaction time of 140 min. The yield is about 71%.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.SCCc1ccncc1
(2)InChI: InChI=1S/C7H9NS.ClH/c9-6-3-7-1-4-8-5-2-7;/h1-2,4-5,9H,3,6H2;1H
(3)InChIKey: AXSMNPPSEOLAGB-UHFFFAOYSA-N