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CAS No.: | 120208-33-5 |
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Name: | Thieno[3,2-b]pyridine, 3-amino- (6CI) |
Molecular Structure: | |
Formula: | C7H6N2S |
Molecular Weight: | 150.204 |
Synonyms: | 3-Aminothieno[3,2-b]pyridine; |
Density: | 1.383 g/cm3 |
Melting Point: | 92 °C |
Boiling Point: | 332.7 °C at 760 mmHg |
Flash Point: | 155 °C |
PSA: | 67.15000 |
LogP: | 2.45970 |
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The Thieno[3,2-b]pyridin-3-amine, with the CAS registry number 120208-33-5, is also known as 3-Aminothieno[3,2-b]pyridine. It belongs to the product categories of Pryidine; Amineprimary; Building Blocks; Thieno[x,x-y]pyridine. This chemical's molecular formula is C7H6N2S and molecular weight is 150.2009. What's more, both its IUPAC name and systematic name are the same which is called Thieno[3,2-b]pyridin-3-amine.
Physical properties about Thieno[3,2-b]pyridin-3-amine are: (1)ACD/LogP: 2.81; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 32.56; (6)ACD/BCF (pH 7.4): 78.5; (7)ACD/KOC (pH 5.5): 326.19; (8)ACD/KOC (pH 7.4): 786.52 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 1 ; (12)Polar Surface Area: 67.15 ?2 ; (13)Index of Refraction: 1.763; (14)Molar Refractivity: 44.8 cm3; (15)Molar Volume: 108.5 cm3; (16)Surface Tension: 70.2 dyne/cm; (17)Density: 1.383 g/cm3; (18)Flash Point: 155 °C; (19)Enthalpy of Vaporization: 57.55 kJ/mol; (20)Boiling Point: 332.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000144 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc2csc1cccnc12
(2) InChI: InChI=1/C7H6N2S/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4H,8H2
(3) InChIKey: QNILVEIBHSZAQG-UHFFFAOYAN