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CAS No.: | 1035219-96-5 |
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Name: | 2-BROMO-6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDIN-4(5H)-ONE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H5BrN2OS |
Molecular Weight: | 233.089 |
Synonyms: | 2-bromo-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one; |
Density: | 1.826 g/cm3 |
Boiling Point: | 487.675 °C at 760 mmHg |
Flash Point: | 248.737 °C |
PSA: | 70.23000 |
LogP: | 1.52030 |
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The CAS registry number of Thiazolo[5,4-c]pyridin-4(5H)-one,2-bromo-6,7-dihydro- is 1035219-96-5. The systematic name is 2-bromo-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one. In addition, the molecular formula is C6H5BrN2OS and the molecular weight is 233.09. What's more, it should be stored in a cool and dry place.
Physical properties about Thiazolo[5,4-c]pyridin-4(5H)-one,2-bromo-6,7-dihydro- are: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 1.048; (3)ACD/LogD (pH 7.4): 1.048; (4)ACD/BCF (pH 5.5): 3.686; (5)ACD/BCF (pH 7.4): 3.686; (6)ACD/KOC (pH 5.5): 88.545; (7)ACD/KOC (pH 7.4): 88.545; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 70.23 Å2; (11)Index of Refraction: 1.641; (12)Molar Refractivity: 46.072 cm3; (13)Molar Volume: 127.681 cm3; (14)Polarizability: 18.264 ×10-24cm3; (15)Surface Tension: 61.411 dyne/cm; (16)Density: 1.826 g/cm3; (17)Flash Point: 248.737 °C; (18)Enthalpy of Vaporization: 75.363 kJ/mol; (19)Boiling Point: 487.675 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: C1CNC(=O)c2c1nc(s2)Br
(2)InChI: InChI=1/C6H5BrN2OS/c7-6-9-3-1-2-8-5(10)4(3)11-6/h1-2H2,(H,8,10)
(3)InChIKey: FUSXFJPOPDRDHZ-UHFFFAOYAO