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2-(4-Pyridinyl)-4-thiazolol

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Name

2-(4-Pyridinyl)-4-thiazolol

EINECS N/A
CAS No. 285995-73-5 Density 1.38 g/cm3
PSA 74.25000 LogP 1.91070
Solubility N/A Melting Point N/A
Formula C8H6N2OS Boiling Point 399.8 °C at 760 mmHg
Molecular Weight 178.21 Flash Point 195.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 285995-73-5 (2-(4-pyridinyl)-4(5H)-thiazolone) Hazard Symbols N/A
Synonyms

LogP

 

2-(4-Pyridinyl)-4-thiazolol Specification

The 2-(4-Pyridinyl)-4-thiazolol with its cas register number is 285995-73-5. The Systematic name about this chemical is 2-pyridin-4-yl-1,3-thiazol-4-ol.

Physical properties about 2-(4-Pyridinyl)-4-thiazolol are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.23; (3)ACD/LogD (pH 7.4): 0.89; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 2.32; (6)ACD/KOC (pH 5.5): 109.13; (7)ACD/KOC (pH 7.4): 50.72; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 74.25Å2; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 47.29 cm3; (14)Molar Volume: 129 cm3; (15)Polarizability: 18.74x10-24cm3; (16)Surface Tension: 65.4 dyne/cm; (17)Enthalpy of Vaporization: 67.59 kJ/mol; (18)Vapour Pressure: 5.78E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1csc(n1)c2ccncc2
(2)InChI: InChI=1/C8H6N2OS/c11-7-5-12-8(10-7)6-1-3-9-4-2-6/h1-5,11H
(3)InChIKey: OLRSQTGMVPWKOX-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H6N2OS/c11-7-5-12-8(10-7)6-1-3-9-4-2-6/h1-5,11H
(5)Std. InChIKey: OLRSQTGMVPWKOX-UHFFFAOYSA-N

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