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15718-46-4

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Basic Information
CAS No.: 15718-46-4
Name: DIPYRIMIDIN-2-YL DISULPHIDE
Article Data: 1
Molecular Structure:
Molecular Structure of 15718-46-4 (DIPYRIMIDIN-2-YL DISULPHIDE)
Formula: C8H6N4S2
Molecular Weight: 222.294
Synonyms: Pyrimidine,2,2'-dithiodi- (8CI);2,2'-Dipyrimidyldisulfide;2,2'-Dithiobispyrimidine;2,2'-Dithiodipyrimidine;Di-2-pyrimidinyl disulfide;Di-2-pyrimidyl disulfide;NSC 106684;
EINECS: 604-604-1
Density: 1.48 g/cm3
Melting Point: 139-141 °C
Boiling Point: 484.2 °C at 760 mmHg
Flash Point: 246.6 °C
Appearance: Yellow power
Risk Codes:  Harmful:;
">  Harmful:;
PSA: 102.16000
LogP: 2.06600
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Specification

The Pyrimidine,2,2'-dithiobis- is an organic compound with the formula C8H6N4S2. The IUPAC name of this chemical is 2-(pyrimidin-2-yldisulfanyl)pyrimidine. With the CAS registry number 15718-46-4, it is also named as Bis(2-pyrimidyl) disulfide.

Physical properties about Pyrimidine,2,2'-dithiobis- are: (1)ACD/LogP: 1.63; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 102.16 Å2; (5)Index of Refraction: 1.71; (6)Molar Refractivity: 58.68 cm3; (7)Molar Volume: 150.1 cm3; (8)Polarizability: 23.26×10-24cm3; (9)Surface Tension: 91.5 dyne/cm Density: 1.48 g/cm3; (10)Flash Point: 246.6 °C; (11)Enthalpy of Vaporization: 72.09 kJ/mol; (12)Boiling Point: 484.2 °C at 760 mmHg; (13)Vapour Pressure: 4.62E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(Sc1ncccn1)c2ncccn2
(2)InChI: InChI=1/C8H6N4S2/c1-3-9-7(10-4-1)13-14-8-11-5-2-6-12-8/h1-6H
(3)InChIKey: LJINHMVNIBCANU-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H6N4S2/c1-3-9-7(10-4-1)13-14-8-11-5-2-6-12-8/h1-6H
(5)Std. InChIKey: LJINHMVNIBCANU-UHFFFAOYSA-N