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3111-54-4

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Basic Information
CAS No.: 3111-54-4
Name: 2-Phenylthiopyridine
Article Data: 91
Molecular Structure:
Molecular Structure of 3111-54-4 (2-Phenylthiopyridine)
Formula: C11H9NS
Molecular Weight: 187.265
Synonyms: 2-(Phenylthio)pyridine;2-Pyridyl phenyl sulfide;Phenyl 2-pyridinyl sulfide;Phenyl 2-pyridyl sulfide;
Density: 1.18 g/cm3
Melting Point: 165 °C
Boiling Point: 320.7 °C at 760 mmHg
Flash Point: 147.7 °C
PSA: 38.19000
LogP: 3.23280
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Specification

The CAS register number of 2-Phenylthiopyridine is 3111-54-4. It also can be called as 2-Pyridyl phenyl sulfide and the systematic name about this chemical is 2-(phenylsulfanyl)pyridine. The molecular formula about this chemical is C11H9NS and the molecular weight is 187.26.

Physical properties about 2-Phenylthiopyridine are: (1)ACD/LogP: 2.96; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 38.19 Å2; (5)Index of Refraction: 1.647; (6)Molar Refractivity: 57.27 cm3; (7)Molar Volume: 157.4 cm3; (8)Polarizability: 22.7x10-24cm3; (9)Surface Tension: 53.2 dyne/cm; (10)Density: 1.18 g/cm3; (11)Flash Point: 147.7 °C; (12)Enthalpy of Vaporization: 54 kJ/mol; (13)Boiling Point: 320.7 °C at 760 mmHg; (14)Vapour Pressure: 0.000587 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ccccc1)c2ncccc2
(2)InChI: InChI=1/C11H9NS/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H
(3)InChIKey: DWBYVHWWZMMIOT-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H9NS/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H
(5)Std. InChIKey: DWBYVHWWZMMIOT-UHFFFAOYSA-N