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CAS No.: | 31784-71-1 |
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Name: | 5-Chloro-thiazolo[5,4-b]pyridin-2-amine |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C6H4ClN3S |
Molecular Weight: | 185.637 |
Synonyms: | Thiazolo[5,4-b]pyridin-2-amine,5-chloro-;5-Chloro[1,3]thiazolo[5,4-b]pyridin-2-amine; |
Density: | 1.632 g/cm3 |
Boiling Point: | 356.8 °C at 760 mmHg |
Flash Point: | 169.6 °C |
PSA: | 80.04000 |
LogP: | 2.50810 |
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The 5-Chloro-thiazolo[5,4-b]pyridin-2-amine with CAS registry number of 31784-71-1 is also called Thiazolo[5,4-b]pyridin-2-amine,5-chloro-. The IUPAC name is 5-chloro[1,3]thiazolo[5,4-b]pyridin-2-amine. In addition, the formula is C6H4ClN3S and the molecular weight is 185.6341.
Physical properties about this chemical are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 57.26 Å2; (7)Index of Refraction: 1.781; (8)Molar Refractivity: 47.79 cm3; (9)Molar Volume: 113.7 cm3; (10)Polarizability: 18.94 ×10-24cm3; (11)Surface Tension: 84 dyne/cm; (12)Density: 1.632 g/cm3; (13)Flash Point: 169.6 °C; (14)Enthalpy of Vaporization: 60.21 kJ/mol; (15)Boiling Point: 356.8 °C at 760 mmHg; (16)Vapour Pressure: 2.85E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc2sc(nc2cc1)N
(2)InChI: InChI=1/C6H4ClN3S/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H,(H2,8,9)
(3)InChIKey: WCCLUBJCLSIZOC-UHFFFAOYAI