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Name |
4-Pyridineethanethiol,hydrochloride (1:1) |
EINECS | N/A |
CAS No. | 6298-11-9 | Density | 1.26g/cm3 |
PSA | 51.69000 | LogP | 2.35590 |
Solubility | N/A | Melting Point |
138-139 °C |
Formula | C7H10ClNS | Boiling Point | 282.8 °C at 760 mmHg |
Molecular Weight | 175.682 | Flash Point | 124.8 °C |
Transport Information | N/A | Appearance | White-Yellow Crystalline Solid |
Safety | 36/37-36-26 | Risk Codes | 43-36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Pyridineethanethiol,hydrochloride (6CI,8CI,9CI);4-(2-Mercaptoethyl)pyridine hydrochloride;2-(Pyridin-4-yl)ethanethiol hydrochloride (1:1); |
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