Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one |
EINECS | N/A |
CAS No. | 6939-11-3 | Density | 1.43 g/cm3 |
PSA | 94.04000 | LogP | 0.47950 |
Solubility | N/A | Melting Point |
255-266 °C |
Formula | C5H6N2O2S | Boiling Point | 348.4 °C at 760 mmHg |
Molecular Weight | 158.181 | Flash Point | 164.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4(1H)-Pyrimidinone, 2,3-dihydro-5-methoxy-2-thioxo-;2-mercapto-5-methoxypyrimidin-4-ol;5-Methoxy-2-sulfanyl-4-pyrimidinol; |
Article Data | 8 |
The CAS register number of 5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one is 6939-11-3. It also can be called as 4(1H)-pyrimidinone, 2,3-dihydro-5-methoxy-2-thioxo- and the IUPAC name about this chemical is 5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one. The molecular formula about this chemical is C5H6N2O2S and the molecular weight is 158.18.
Physical properties about 5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one are: (1)ACD/LogP: -0.27; (2)ACD/LogD (pH 5.5): -0.28; (3)ACD/LogD (pH 7.4): -0.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.78; (7)ACD/KOC (pH 7.4): 8.98; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 64.87Å2; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 39.1 cm3; (14)Molar Volume: 110.3 cm3; (15)Polarizability: 15.5x10-24cm3; (16)Surface Tension: 64.8 dyne/cm; (17)Enthalpy of Vaporization: 61.62 kJ/mol; (18)Boiling Point: 348.4 °C at 760 mmHg; (19)Vapour Pressure: 2.5E-05 mmHg at 25°C.
Uses of 5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one: it can be used to produce 5-methoxy-4-trimethylsilanyloxy-2-trimethylsilanylsulfanyl-pyrimidine with chloro-trimethyl-silane at ambient temperature. This reaction will need reagent Et3N and solvent benzene with reaction time of 3 day(s). The yield is about 90%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(\OC)=C/NC(=S)N1
(2)InChI: InChI=1/C5H6N2O2S/c1-9-3-2-6-5(10)7-4(3)8/h2H,1H3,(H2,6,7,8,10)
(3)InChIKey: CDFYFTSELDPCJA-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H6N2O2S/c1-9-3-2-6-5(10)7-4(3)8/h2H,1H3,(H2,6,7,8,10)
(5)Std. InChIKey: CDFYFTSELDPCJA-UHFFFAOYSA-N