| Identification | |
| Name: | 9H-Purine,2-chloro-8-(methylthio)- |
| Synonyms: | Purine,2-chloro-8-(methylthio)- (7CI);2-Chloro-8-(methylthio)-7H-purine; |
| CAS: | 89581-80-6 |
| Molecular Formula: | C6H5ClN4S |
| Molecular Weight: | 0 |
| InChI: | InChI=1/C6H5ClN4S/c1-12-6-9-3-2-8-5(7)10-4(3)11-6/h2H,1H3,(H,8,9,10,11) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.61 g/cm3 |
| Refractive index: | 1.722 |
| Specification: |
The 2-Chloro-8-(methylthio)-7H-purine with the cas number 89581-80-6 is also called 9H-Purine,2-chloro-8-(methylthio)-. Its molecular formula is C6H5ClN4S. The product category is chiral chemicals. This chemical should be stored in dry and cool environment. The properties of the chemical are: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 0.42; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 79.76 Å2; (9)Index of Refraction: 1.722; (10)Molar Refractivity: 49.09 cm3; (11)Molar Volume: 123.9 cm3; (12)Polarizability: 19.46×10-24cm3; (13)Surface Tension: 94 dyne/cm; (14)Enthalpy of Vaporization: 58.94 kJ/mol; (15)Vapour Pressure: 6.18×10-5 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Safety Data | |
 |
|
