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625096-72-2

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Basic Information
CAS No.: 625096-72-2
Name: 1,3-Bis(2-pyridylthio)propane
Molecular Structure:
Molecular Structure of 625096-72-2 (1,3-Bis(2-pyridylthio)propane)
Formula: C13H14N2S2
Molecular Weight: 262.39
Synonyms: Pyridine,2,2'-[1,3-propanediylbis(thio)]bis- (9CI);
Density: 1.22 g/cm3
Boiling Point: 437.4 °C at 760 mmHg
Flash Point: 218.3 °C
PSA: 76.38000
LogP: 3.75110
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  • 1,3-BIS(PYRIDIN-2-YLTHIO)PROPANECAS

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    1,3-BIS(PYRIDIN-2-YLTHIO)PROPANECASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 2-(3-pyridin-2-ylsulfanylpropylsulfanyl)pyridine

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    2-(3-pyridin-2-ylsulfanylpropylsulfanyl)pyridine

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Specification

The 1, 3-Bis(2-pyridylthio)propane, with the CAS registry number 625096-72-2, is also known as Pyridine, 2, 2'-[1, 3-propanediylbis(thio)]bis- (9CI). This chemical's molecular formula is C13H14N2S2 and molecular weight is 262.39. What's more, its systematic name is 2, 2'-(Propane-1, 3-diyldisulfanediyl)dipyridine.

Physical properties about 1, 3-Bis(2-pyridylthio)propane are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 230.62; (6)ACD/BCF (pH 7.4): 232.23; (7)ACD/KOC (pH 5.5): 1706.44; (8)ACD/KOC (pH 7.4): 1718.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 76.38 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 76.98 cm3; (15)Molar Volume: 213.4 cm3; (16)Polarizability: 30.51×10-24 cm3; (17)Surface Tension: 59.7 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 218.3 °C; (20)Enthalpy of Vaporization: 66.72 kJ/mol; (21)Boiling Point: 437.4 °C at 760 mmHg; (22)Vapour Pressure: 1.93E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C(CSc1ccccn1)CSc2ccccn2
(2) InChI: InChI=1/C13H14N2S2/c1-3-8-14-12(6-1)16-10-5-11-17-13-7-2-4-9-15-13/h1-4,6-9H,5,10-11H2
(3) InChIKey: ZQYXRBCHRQIHKG-UHFFFAOYAM