| Identification | |
| Name: | 5-Pyrimidinecarboxaldehyde,4,6-dichloro-2-(methylthio)- |
| Synonyms: | 2-(Methylthio)-4,6-dichloropyrimidine-5-carboxaldehyde;4,6-Dichloro-2-(methylthio)-5-pyrimidinecarboxaldehyde;4,6-Dichloro-2-methylsulfanylpyrimidine-5-carboxaldehyde |
| CAS: | 33097-11-9 |
| Molecular Formula: | C6H4 Cl2 N2 O S |
| Molecular Weight: | 223.08 |
| InChI: | InChI=1/C6H4Cl2N2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.57g/cm3 |
| Refractive index: | 1.616 |
| Appearance: | Pale Yellow Solid |
| Specification: |
The 4,6-Dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde with the CAS number 33097-11-9 is also called 5-Pyrimidinecarboxaldehyde,4,6-dichloro-2-(methylthio)-. Its molecular formula is C6H4Cl2N2OS. This chemical belongs to the following product categories: (1)Nucleotides and Nucleosides; (2)Bases & Related Reagents; (3)Nucleotides. The properties of the chemical are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.37; (6)ACD/BCF (pH 7.4): 76.37; (7)ACD/KOC (pH 5.5): 775.19; (8)ACD/KOC (pH 7.4): 775.19; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.15Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 49.61 cm3; (15)Molar Volume: 141.8 cm3; (16)Polarizability: 19.66×10-24cm3; (17)Surface Tension: 68.8 dyne/cm; (18)Enthalpy of Vaporization: 57 kJ/mol; (19)Vapour Pressure: 0.000199 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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