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Name |
Ethanol, 2-(2-pyridinylthio)- |
EINECS | N/A |
CAS No. | 77555-27-2 | Density | 1.21 g/cm3 |
PSA | 58.42000 | LogP | 1.16600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H9NOS | Boiling Point | 299.8 °C at 760 mmHg |
Molecular Weight | 155.221 | Flash Point | 135.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(2-Pyridylthio)ethanol;2-(Pyridin-2-ylsulfanyl)ethanol; |
Article Data | 8 |
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