| Identification | |
| Name: | 9H-Purine,6-chloro-2-(methylthio)- |
| Synonyms: | 1H-Purine,6-chloro-2-(methylthio)- (9CI);Purine, 6-chloro-2-(methylthio)- (6CI); |
| CAS: | 66191-23-9 |
| Molecular Formula: | C6H5ClN4S |
| Molecular Weight: | 200.65 |
| InChI: | InChI=1/C6H5ClN4S/c1-12-6-10-4(7)3-5(11-6)9-2-8-3/h2H,1H3,(H,8,9,10,11) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.61 g/cm3 |
| Refractive index: | 1.722 |
| Specification: |
The 6-Chloro-2-(methylthio)-7H-purine, its cas register number is 66191-23-9. It also can be called as 9H-Purine,6-chloro-2-(methylthio)- and the IUPAC name about this chemical is 6-chloro-2-methyl-1-sulfanylpurine. It belongs to the chiral chemicals. Physical properties about 6-Chloro-2-(methylthio)-7H-purine are: (1)ACD/LogD (pH 5.5): 0.71; (2)ACD/LogD (pH 7.4): 0.56; (3)ACD/BCF (pH 5.5): 2.03; (4)ACD/BCF (pH 7.4): 1.44; (5)ACD/KOC (pH 5.5): 57.67; (6)ACD/KOC (pH 7.4): 40.99; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 68.9Å2; (11)Index of Refraction: 1.722; (12)Molar Refractivity: 49.09 cm3; (13)Molar Volume: 123.9 cm3; (14)Polarizability: 19.46X10-24cm3; (15)Surface Tension: 94 dyne/cm; (16)Enthalpy of Vaporization: 79 kJ/mol; (17)Vapour Pressure: 2.77E-11 mmHg at 25°C You can still convert the following datas into molecular structure: |
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