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203268-53-5

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Basic Information
CAS No.: 203268-53-5
Name: 2-Hydroxy-4(1H)-pyrimidinethione
Molecular Structure:
Molecular Structure of 203268-53-5 (2-Hydroxy-4(1H)-pyrimidinethione)
Formula: C4H4N2OS
Molecular Weight: 128.15
Synonyms: 4-Thioxo-3,4-dihydropyrimidin-2(1H)-one;4(1H)-pyrimidinethione, 2-hydroxy-;2(1H)-Pyrimidinone, 3,4-dihydro-4-thioxo-;
Density: 1.46 g/cm3
Boiling Point: 388 °C at 760 mmHg
Flash Point: 188.4 °C
PSA: 81.00000
LogP: 0.84480
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Specification

The CAS register number of 2-Hydroxy-4(1H)-pyrimidinethione is 203268-53-5. It also can be called as 4(1H)-pyrimidinethione, 2-hydroxy- and the systematic name about this chemical is 4-thioxo-3,4-dihydropyrimidin-2(1H)-one. The molecular formula about this chemical is C4H4N2OS and molecular weight is 128.15. It belongs to the Pyrimidine.

Physical properties about 2-Hydroxy-4(1H)-pyrimidinethione are: (1)ACD/LogP: -0.31; (2)ACD/LogD (pH 5.5): -0.33; (3)ACD/LogD (pH 7.4): -0.95; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.55; (7)ACD/KOC (pH 7.4): 3.72; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 55.64Å2; (11)Index of Refraction: 1.677; (12)Molar Refractivity: 32.95 cm3; (13)Molar Volume: 87.4 cm3; (14)Polarizability: 13.06x10-24cm3; (15)Surface Tension: 73.9 dyne/cm; (16)Enthalpy of Vaporization: 66.2 kJ/mol; (17)Boiling Point: 388 °C at 760 mmHg; (18)Vapour Pressure: 1.42E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N\C=C/C(=S)N1
(2)InChI: InChI=1/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
(3)InChIKey: OVONXEQGWXGFJD-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
(5)Std. InChIKey: OVONXEQGWXGFJD-UHFFFAOYSA-N