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Pyrimidine,5-bromo-2-chloro-4-(methylthio)-

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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 Molecular Structure of 59549-51-8 (5-BROMO-2-CHLORO-4-(METHYLTHIO)PYRIMIDINE) Hazard Symbols IrritantXi
Synonyms

5-Bromo-2-chloro-4-(methylsulfanyl)pyrimidine;

Article Data 7

Pyrimidine,5-bromo-2-chloro-4-(methylthio)- Specification

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

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