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4-Pyridineethanethiol,hydrochloride (1:1)

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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 Molecular Structure of 6298-11-9 (4-PYRIDINEETHANETHIOL HYDROCHLORIDE) Hazard Symbols Xi
Synonyms

4-Pyridineethanethiol,hydrochloride (6CI,8CI,9CI);4-(2-Mercaptoethyl)pyridine hydrochloride;2-(Pyridin-4-yl)ethanethiol hydrochloride (1:1);

 

4-Pyridineethanethiol,hydrochloride (1:1) 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%.

4-Pyridineethanethiol,hydrochloride (1:1) can be used to produce 4-(2-butylthioethyl)pyridine at the temperature of 20 °C

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

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