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52222-43-2

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Basic Information
CAS No.: 52222-43-2
Name: 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-
Article Data: 5
Molecular Structure:
Molecular Structure of 52222-43-2 (4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-)
Formula: C5H7N5OS
Molecular Weight: 185.206980
Synonyms: 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-;
Density: 1.79 g/cm3
Boiling Point: 480.2 °C at 760 mmHg
Flash Point: 244.2 °C
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  • 2-Methylsulfanyl-5-nitroso-pyrimidine-4,6-diamine cas 52222-43-2

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    2-Methylsulfanyl-5-nitroso-pyrimidine-4,6-diamine cas 52222-43-2Appearance: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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Specification

The 2-Methylsulfanyl-5-nitroso-pyrimidine-4,6-diamine, with the CAS registry number of 52222-43-2, is also known as 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-. Its molecular formula is C5H7N5OS and molecular weight is 185.206980. What's more, its IUPAC name is 2-Methylsulfanyl-5-nitrosopyrimidine-4,6-diamine.

Physical properties about the 2-Methylsulfanyl-5-nitroso-pyrimidine-4,6-diamine are: (1)ACD/LogP: -1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.22; (6)ACD/BCF (pH 7.4): 5.23; (7)ACD/KOC (pH 5.5): 113.65; (8)ACD/KOC (pH 7.4): 113.69; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 86.99 Å2; (13)Index of Refraction: 1.81; (14)Molar Refractivity: 44.5 cm3; (15)Molar Volume: 103.1 cm3; (16)Surface Tension: 85.8 dyne/cm; (17)Density: 1.79 g/cm3; (18)Flash Point: 244.2 °C; (19)Enthalpy of Vaporization: 74.46 kJ/mol; (20)Boiling Point: 480.2 °C at 760 mmHg; (21)Vapour Pressure: 2.22E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Nc1c(nc(SC)nc1N)N
(2) InChI: InChI=1/C5H7N5OS/c1-12-5-8-3(6)2(10-11)4(7)9-5/h1H3,(H4,6,7,8,9)
(3) InChIKey: QHDIORZOMVHNGS-UHFFFAOYAC