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| CAS No.: | 81820-65-7 |
|---|---|
| Name: | 4-Phenylthieno[3,2-c]pyridine |
| Molecular Structure: | |
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| Formula: | C13H9NS |
| Molecular Weight: | 211.287 |
| Synonyms: | 4-Phenylthieno[3,2-c]pyridine |
| Density: | 1.231 g/cm3 |
| Melting Point: | 61-62 °C |
| Boiling Point: | 380.7 °C at 760 mmHg |
| Flash Point: | 179.4 °C |
| PSA: | 41.13000 |
| LogP: | 3.96330 |
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Specification
The 4-Phenylthieno[3,2-c]pyridine, with the CAS registry number 81820-65-7, is also known as Thieno[3,2-c]pyridine, 4-phenyl-. This chemical's molecular formula is C13H9NS and formula weight is 211.28. What's more, its systematic name is called Thieno[3,2-c]pyridine, 4-phenyl-.
Physical properties about this chemical are: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.78; (4)ACD/LogD (pH 7.4): 4.79; (5)ACD/BCF (pH 5.5): 2494.89; (6)ACD/BCF (pH 7.4): 2579.39; (7)ACD/KOC (pH 5.5): 9311.94; (8)ACD/KOC (pH 7.4): 9627.33; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 65.16 cm3; (15)Molar Volume: 171.5 cm3; (16)Surface Tension: 52.5 dyne/cm; (17)Density: 1.231 g/cm3; (18)Flash Point: 179.4 °C; (19)Melting Point: 61-62 °C; (20)Enthalpy of Vaporization: 60.42 kJ/mol; (21)Boiling Point: 380.7 °C at 760 mmHg; (22)Vapour Pressure: 1.17E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)c2c3ccsc3ccn2
(2)InChI: InChI=1/C13H9NS/c1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13/h1-9H
(3)InChIKey: UEXKIEYHNLJFQH-UHFFFAOYAK