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CAS No.: | 180869-36-7 |
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Name: | 4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C8H12N2O2S |
Molecular Weight: | 200.261 |
Synonyms: | 2-(Methylthio)pyrimidine-4-carboxaldehydedimethyl acetal;4-(Dimethoxymethyl)-2-(methylsulfanyl)pyrimidine;4-Dimethoxymethyl-2-methylthiopyrimidine;4-[Bis(methoxy)methyl]-2-(methylthio)pyrimidine; |
Density: | 1.189 g/cm3 |
Boiling Point: | 273.033 °C at 760 mmHg |
Flash Point: | 118.927 °C |
PSA: | 69.54000 |
LogP: | 1.48990 |
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This chemical is called Pyrimidine, 4-(dimethoxymethyl)-2-(methylthio)-, and its IUPAC name is 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine. With the molecular formula of C8H12N2O2S, its product category is Pharmacetical. The CAS registry number of this chemical is 180869-36-7.
Other characteristics of the Pyrimidine, 4-(dimethoxymethyl)-2-(methylthio)- can be summarised as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 86; (8)ACD/KOC (pH 7.4): 86; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.54 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 52.334 cm3; (15)Molar Volume: 168.446 cm3; (16)Polarizability: 20.747×10-24cm3; (17)Surface Tension: 48.366 dyne/cm; (18)Density: 1.189 g/cm3; (19)Flash Point: 118.927 °C; (20)Enthalpy of Vaporization: 49.077 kJ/mol; (21)Boiling Point: 273.033 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CSc1nc(ccn1)C(OC)OC
2.InChI: InChI=1/C8H12N2O2S/c1-11-7(12-2)6-4-5-9-8(10-6)13-3/h4-5,7H,1-3H3 C
3.InChIKey: PTYFBMBIEDVSIA-UHFFFAOYAC