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| CAS No.: | 4874-33-3 |
|---|---|
| Name: | 5-Pyrimidinol, 2-(methylthio)- (6CI,7CI,8CI,9CI) |
| Molecular Structure: | |
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| Formula: | C5H6N2OS |
| Molecular Weight: | 142.181 |
| Synonyms: | 2-(Methylmercapto)-5-hydroxypyrimidine;2-(Methylthio)-5-hydroxypyrimidine;2-(Methylthio)-5-pyrimidinol;2-Methylsulfanylpyrimidin-5-ol; |
| Density: | 1.37 g/cm3 |
| Boiling Point: | 301.2 °C at 760 mmHg |
| Flash Point: | 136 °C |
| PSA: | 71.31000 |
| LogP: | 0.90410 |
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Specification
The 5-Pyrimidinol,2-(methylthio)- is an organic compound with the formula C5H6N2OS. The systematic name of this chemical is 2-(methylsulfanyl)pyrimidin-5-ol. With the CAS registry number 4874-33-3, it is also named as 5-Hydroxy-2-methylthiopyrimidine. The product's category is Pyrimidine.
Physical properties about 5-Pyrimidinol,2-(methylthio)- are: (1)ACD/LogP: 0.27; (2)ACD/LogD (pH 5.5): 0.15; (3)ACD/LogD (pH 7.4): -1.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.1; (7)ACD/KOC (pH 7.4): 1.24; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 60.31 Å2; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 36.51 cm3; (14)Molar Volume: 103.2 cm3; (15)Polarizability: 14.47×10-24cm3; (16)Surface Tension: 73.5 dyne/cm; (17)Density: 1.37 g/cm3; (18)Flash Point: 136 °C; (19)Enthalpy of Vaporization: 56.3 kJ/mol; (20)Boiling Point: 301.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000597 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cnc(SC)nc1
(2)InChI: InChI=1/C5H6N2OS/c1-9-5-6-2-4(8)3-7-5/h2-3,8H,1H3
(3)InChIKey: VVTBLRLLKIDVKB-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H6N2OS/c1-9-5-6-2-4(8)3-7-5/h2-3,8H,1H3
(5)Std. InChIKey: VVTBLRLLKIDVKB-UHFFFAOYSA-N