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Name |
Thieno[3,2-c]pyridin-4(5H)-one |
EINECS | N/A |
CAS No. | 27685-92-3 | Density | 1.355 g/cm3 |
PSA | 61.10000 | LogP | 1.58960 |
Solubility | N/A | Melting Point |
212 °C |
Formula | C7H5NOS | Boiling Point | 406.041 °C at 760 mmHg |
Molecular Weight | 151.189 | Flash Point | 199.367 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 149764;4-Hydroxythieno[3,2-c]pyridine;4-Oxo-4,5-dihydrothieno[3,2-c]pyridine;5H-Thieno[3,2-c]pyridin-4-one;Oxodihydrothienopyridine; |
Article Data | 14 |
The Thieno[3,2-c]pyridin-4-ol, with the CAS registry number 27685-92-3, is also known as 5H-Thieno[3,2-c]pyridin-4-one. This chemical's molecular formula is C7H5NOS and molecular weight is 151.19. What's more, its IUPAC name is 5H-thieno[3,2-c]pyridin-4-one.
Physical properties of Thieno[3,2-c]pyridin-4-ol are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.923; (4)ACD/BCF (pH 5.5): 17.045; (5)ACD/BCF (pH 7.4): 17.044; (6)ACD/KOC (pH 5.5): 264.965; (7)ACD/KOC (pH 7.4): 264.962; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 57.34 Å2; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 39.894 cm3; (14)Molar Volume: 111.566 cm3; (15)Surface Tension: 51.19 dyne/cm; (16)Density: 1.355 g/cm3; (17)Flash Point: 199.367 °C; (18)Enthalpy of Vaporization: 65.772 kJ/mol; (19)Boiling Point: 406.041 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CNC(=O)C2=C1SC=C2
(2)InChI: InChI=1S/C7H5NOS/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
(3)InChIKey: DUPNPBCUJHMSFZ-UHFFFAOYSA-N