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77555-27-2

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Basic Information
CAS No.: 77555-27-2
Name: 2-(2-PYRIDYLTHIO)ETHAN-1-OL
Article Data: 8
Molecular Structure:
Molecular Structure of 77555-27-2 (2-(2-PYRIDYLTHIO)ETHAN-1-OL)
Formula: C7H9NOS
Molecular Weight: 155.221
Synonyms: 2-(2-Pyridylthio)ethanol;2-(Pyridin-2-ylsulfanyl)ethanol;
Density: 1.21 g/cm3
Boiling Point: 299.8 °C at 760 mmHg
Flash Point: 135.1 °C
PSA: 58.42000
LogP: 1.16600
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Specification

This chemical is called Ethanol, 2-(2-pyridinylthio)-, and its systematic name is 2-(pyridin-2-ylsulfanyl)ethanol. With the molecular formula of C7H9NOS, its molecular weight is 155.22. The CAS registry number of this chemical is 77555-27-2.

Other characteristics of the Ethanol, 2-(2-pyridinylthio)- can be summarised as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.91; (6)ACD/BCF (pH 7.4): 2.91; (7)ACD/KOC (pH 5.5): 74.66; (8)ACD/KOC (pH 7.4): 74.79; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.42 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 43.35 cm3; (15)Molar Volume: 127.3 cm3; (16)Polarizability: 17.18×10-24cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 135.1 °C; (20)Enthalpy of Vaporization: 57.01 kJ/mol; (21)Boiling Point: 299.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000519 mmHg at 25°C.

Production method of this chemical: The Ethanol, 2-(2-pyridinylthio)- could be obtained by the reactants of 2-bromo-pyridine and 2-mercapto-ethanol. This reaction needs the reagents of ethanol, sodium ethylate.

You can still convert the following datas into molecular structure: 
1.SMILES: S(c1ncccc1)CCO
2.InChI: InChI=1/C7H9NOS/c9-5-6-10-7-3-1-2-4-8-7/h1-4,9H,5-6H2
3.InChIKey: VKXCZEICJYQFIT-UHFFFAOYAF