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CAS No.: | 26493-11-8 |
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Name: | 2-AMINO-6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDIN-4(5H)-ONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H7N3OS |
Molecular Weight: | 169.20 |
Synonyms: | 2-AMINO-6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDIN-4(5H)-ONE;Thiazolo[5,4-c]pyridin-4(5H)-one, 2-amino-6,7-dihydro-;2-amino-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one |
Density: | 1.487 g/cm3 |
Boiling Point: | 559.409 °C at 760 mmHg |
Flash Point: | 292.12 °C |
PSA: | 100.47000 |
LogP: | -0.04830 |
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The CAS registry number of Thiazolo[5,4-c]pyridin-4(5H)-one,2-amino-6,7-dihydro- is 26493-11-8. This chemical's molecular formula is C6H7N3OS and molecular weight is 169.20. What's more, its systematic name is called 2-Amino-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-4(5H)-one.
Physical properties about Thiazolo[5,4-c]pyridin-4(5H)-one,2-amino-6,7-dihydro- are: (1)ACD/LogP: 0.316; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1.02; (7)ACD/KOC (pH 5.5): 34.98; (8)ACD/KOC (pH 7.4): 35.40; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 96.25 Å2; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 42.618 cm3; (15)Molar Volume: 113.777 cm3; (16)Polarizability: 16.895×10-24cm3; (17)Surface Tension: 74.547 dyne/cm; (18)Density: 1.487 g/cm3; (19)Flash Point: 292.12 °C; (20)Enthalpy of Vaporization: 84.173 kJ/mol; (21)Boiling Point: 559.409 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1CNC(=O)c2c1nc(s2)N
(2) InChI: InChI=1S/C6H7N3OS/c7-6-9-3-1-2-8-5(10)4(3)11-6/h1-2H2,(H2,7,9)(H,8,10)
(3) InChIKey: RCZQMGROGKEVLO-UHFFFAOYSA-N