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CAS No.: | 1020-71-9 |
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Name: | 4,4'-(DITHIODIMETHYLENE)DIPYRIDINE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C12H12N2S2 |
Molecular Weight: | 248.37 |
Synonyms: | Pyridine,4,4'-(dithiodimethylene)di- (7CI,8CI);4,4'-(Dithiodimethylene)dipyridine;Bis(4-pyridylmethyl) disulfide;NSC 92988; |
Density: | 1.258 g/cm3 |
Melting Point: | 157-158 °C |
Boiling Point: | 422.4 °C at 760 mmHg |
Flash Point: | 209.3 °C |
PSA: | 76.38000 |
LogP: | 3.55820 |
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The Pyridine, 4, 4'-[dithiobis(methylene)]bis-, with the CAS registry number 1020-71-9, is also known as Bis(4-pyridylmethyl) disulfide. This chemical's molecular formula is C12H12N2S2 and molecular weight is 248.37. What's more, its IUPAC name is 4-[(Pyridin-4-ylmethyldisulfanyl)methyl]pyridine.
Physical properties about Pyridine, 4, 4'-[dithiobis(methylene)]bis- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 76.38 Å2; (7)Index of Refraction: 1.655; (8)Molar Refractivity: 72.46 cm3; (9)Molar Volume: 197.3 cm3; (10)Polarizability: 28.72×10-24 cm3; (11)Surface Tension: 58.4 dyne/cm; (12)Density: 1.258 g/cm3; (13)Flash Point: 209.3 °C; (14)Enthalpy of Vaporization: 65.03 kJ/mol; (15)Boiling Point: 422.4 °C at 760 mmHg; (16)Vapour Pressure: 5.95E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: S(SCc1ccncc1)Cc2ccncc2
(2) InChI: InChI=1/C12H12N2S2/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-8H,9-10H2
(3) InChIKey: DAVWLGVBAUGEOK-UHFFFAOYAU