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CAS No.: | 959236-97-6 |
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Name: | 2-METHYLTHIO-4-BROMOPYRIMIDINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H5BrN2S |
Molecular Weight: | 205.078 |
Synonyms: | 2-(Methylthio)-4-bromopyrimidine;4-Bromo-2-(methylthio)pyrimidine;4-Bromo-2-(methylsulfanyl)pyrimidine; |
Density: | 1.72 g/cm3 |
Melting Point: | 30-40℃ |
Boiling Point: | 281.2 °C at 760 mmHg |
Flash Point: | 123.9 °C |
PSA: | 51.08000 |
LogP: | 1.96100 |
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The CAS registry number of Pyrimidine,4-bromo-2-(methylthio)- is 959236-97-6. The IUPAC name is 4-bromo-2-methylsulfanylpyrimidine. In addition, the molecular formula is C5H5BrN2S and the molecular weight is 205.0756. It should be stored in a cool and dry place.
Physical properties about Pyrimidine,4-bromo-2-(methylthio)- are: (1)ACD/LogP: 1.78; (2)ACD/LogD (pH 5.5): 1.78; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 13.31; (5)ACD/BCF (pH 7.4): 13.31; (6)ACD/KOC (pH 5.5): 221.95; (7)ACD/KOC (pH 7.4): 221.95; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 51.08 Å2; (11)Index of Refraction: 1.636; (12)Molar Refractivity: 42.7 cm3; (13)Molar Volume: 119.1 cm3; (14)Polarizability: 16.93 ×10-24cm3; (15)Surface Tension: 64.9 dyne/cm; (16)Density: 1.72 g/cm3; (17)Flash Point: 123.9 °C; (18)Enthalpy of Vaporization: 49.91 kJ/mol; (19)Boiling Point: 281.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00615 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CSc1nccc(n1)Br
(2)InChI: InChI=1/C5H5BrN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
(3)InChIKey: TZSQAGYDWPPKPE-UHFFFAOYAL