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Name |
Pyrimidine,5-bromo-2-chloro-4-(methylthio)- |
EINECS | N/A |
CAS No. | 59549-51-8 | Density | 1.83 g/cm3 |
PSA | 51.08000 | LogP | 2.61440 |
Solubility | N/A | Melting Point |
56-58ºC |
Formula | C5H4BrClN2S | Boiling Point | 346.1 °C at 760 mmHg |
Molecular Weight | 239.523 | Flash Point | 163.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Bromo-2-chloro-4-(methylsulfanyl)pyrimidine; |
Article Data | 7 |
The Pyrimidine, 5-bromo-2-chloro-4-(methylthio)-, with the CAS registry number of 59549-51-8, is also known as 5-Bromo-2-chloro-4-(methylsulfanyl)pyrimidine. It belongs to the product categories of Building Blocks; Pyrimidine. This chemical's molecular formula is C5H4BrClN2S and molecular weight is 239.52. What's more, its systematic name is called 5-Bromo-2-chloro-4-methylsulfanyl-pyrimidine.
Physical properties about Pyrimidine, 5-bromo-2-chloro-4-(methylthio)- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 51.08 Å2; (9)Index of Refraction: 1.649; (10)Molar Refractivity: 47.53 cm3; (11)Molar Volume: 130.3 cm3; (12)Surface Tension: 68.7 dyne/cm; (13)Density: 1.83 g/cm3; (14)Flash Point: 163.1 °C; (15)Enthalpy of Vaporization: 56.69 kJ/mol; (16)Boiling Point: 346.1 °C at 760 mmHg; (17)Vapour Pressure: 0.000118 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CSc1c(cnc(n1)Cl)Br
(2) InChI: InChI=1/C5H4BrClN2S/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3
(3) InChIKey: GSIMJSNRAAYBOG-UHFFFAOYAL