Pyrimidine,5-bromo-2-methoxy-4-(methylthio)- supplier

Name
5-BROMO-2-METHOXY-4-(METHYLTHIO)PYRIMIDINE
EINECS
CAS No. 59549-52-9
Density 1.66 g/cm³
Solubility
Melting Point
Formula C₆H₇BrN₂OS
Boiling Point 320.9 °C at 760 mmHg
Molecular Weight 235.104
Flash Point 147.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Bromo-2-methoxy-4-methylsulfanyl-pyrimidine;
PSA 60.31000
LogP 1.96960

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

The Pyrimidine, 5-bromo-2-methoxy-4-(methylthio)-, with the CAS registry number of 59549-52-9, is also known as 5-Bromo-2-methoxy-4-(methylthio)pyrimidine. It belongs to the product categories of Organohalides; Pyrimidine. This chemical's molecular formula is C₆H₇BrN₂OS and molecular weight is 235.1. What's more, its systematic name is called 5-Bromo-2-methoxy-4-methylsulfanyl-pyrimidine.

Physical properties about Pyrimidine, 5-bromo-2-methoxy-4-(methylthio)- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 60.31 Å²; (9)Index of Refraction: 1.609; (10)Molar Refractivity: 49.07 cm³; (11)Molar Volume: 141.6 cm³; (12)Surface Tension: 61.6 dyne/cm; (13)Density: 1.66 g/cm³; (14)Flash Point: 147.9 °C; (15)Enthalpy of Vaporization: 54.02 kJ/mol; (16)Boiling Point: 320.9 °C at 760 mmHg; (17)Vapour Pressure: 0.000579 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ncc(c(n1)SC)Br
(2) InChI: InChI=1/C6H7BrN2OS/c1-10-6-8-3-4(7)5(9-6)11-2/h3H,1-2H3
(3) InChIKey: RUALHKGODQGZFN-UHFFFAOYAY

Product Name

5-BROMO-2-METHOXY-4-(METHYLTHIO)PYRIMIDINE

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

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