CAS No.709635-68-7,5-(2-PYRIDINYLSULFANYL)-2-FURALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	709635-68-7
Name:	5-(2-PYRIDINYLSULFANYL)-2-FURALDEHYDE

Formula:	C₁₀H₇NO₂S
Molecular Weight:	205.23
Synonyms:	2-furancarboxaldehyde, 5-(2-pyridinylthio)-;5-(Pyridin-2-ylsulfanyl)-2-furaldehyde;
Density:	1.34g/cm³
Boiling Point:	398.5 °C at 760 mmHg
Flash Point:	194.8 °C
PSA:	68.40000
LogP:	2.63830

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Specification

The 5-(2-Pyridinylsulfanyl)-2-furaldehyde, with cas registry number 709635-68-7, has the systematic name of 5-(pyridin-2-ylsulfanyl)furan-2-carbaldehyde. And its IUPAC name is the same one. Besides this, it is also called 2-furancarboxaldehyde, 5-(2-pyridinylthio)-. What's more, its hazard class is irritant.

Physical properties about this chemical are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.88; (6)ACD/BCF (pH 7.4): 8.88; (7)ACD/KOC (pH 5.5): 166.13; (8)ACD/KOC (pH 7.4): 166.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.4 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 54.72 cm³; (15)Molar Volume: 152.9 cm³; (16)Polarizability: 21.69×10^-24cm³; (17)Surface Tension: 61.2 dyne/cm; (18)Enthalpy of Vaporization: 64.91 kJ/mol; (19)Vapour Pressure: 1.47E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2oc(Sc1ncccc1)cc2
(2)InChI: InChI=1/C10H7NO2S/c12-7-8-4-5-10(13-8)14-9-3-1-2-6-11-9/h1-7H
(3)InChIKey: NWJZBQDKKLHSBP-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H7NO2S/c12-7-8-4-5-10(13-8)14-9-3-1-2-6-11-9/h1-7H
(5)Std. InChIKey: NWJZBQDKKLHSBP-UHFFFAOYSA-N