4-Bromo-2-(methylthio)pyrimidine supplier

Name
2-METHYLTHIO-4-BROMOPYRIMIDINE
EINECS
CAS No. 959236-97-6
Article Data4
CAS DataBase
Density 1.72 g/cm³
Solubility
Melting Point 30-40℃
Formula C₅H₅BrN₂S
Boiling Point 281.2 °C at 760 mmHg
Molecular Weight 205.078
Flash Point 123.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Methylthio)-4-bromopyrimidine;4-Bromo-2-(methylthio)pyrimidine;4-Bromo-2-(methylsulfanyl)pyrimidine;
PSA 51.08000
LogP 1.96100

4-Bromo-2-(methylthio)pyrimidine Specification

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

Product Name

2-METHYLTHIO-4-BROMOPYRIMIDINE

4-Bromo-2-(methylthio)pyrimidine Specification

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