5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one supplier

Name
5-METHOXY-2-SULFANYL-4-PYRIMIDINOL
EINECS
CAS No. 6939-11-3
Article Data8
CAS DataBase
Density 1.43 g/cm³
Solubility
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
Appearance
Safety 36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone, 2,3-dihydro-5-methoxy-2-thioxo-;2-mercapto-5-methoxypyrimidin-4-ol;5-Methoxy-2-sulfanyl-4-pyrimidinol;
PSA 94.04000
LogP 0.47950

5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one Specification

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

Product Name

5-METHOXY-2-SULFANYL-4-PYRIMIDINOL

5-methoxy-2-sulfanylidene-1H-pyrimidin-4-one Specification

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