-
Name
5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thieno[3,2-c]pyridinone
- EINECS 1592732-453-0
- CAS No. 109904-26-9
- Article Data12
- CAS DataBase
- Density 1.26 g/cm3
- Solubility
- Melting Point 210oC (dec)
- Formula C26H23NOS
- Boiling Point 548.2 °C at 760 mmHg
- Molecular Weight 397.541
- Flash Point 285.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one;
- PSA 45.61000
- LogP 5.53810
5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thieno[3,2-c]pyridinone Specification
The 5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thieno[3,2-c]pyridinone, with the CAS registry number 109904-26-9, belongs to the classes of Aromatics Compounds; Aromatics; Heterocycles; Sulfur & Selenium Compounds. The IUPAC name is 5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one. In addition, the molecular formula is C26H23NOS and the molecular weight is 397.53. And it is beige solid.
Physical properties of 5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thieno[3,2-c]pyridinone are: (1)ACD/LogP: 4.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.89; (4)ACD/LogD (pH 7.4): 4.93; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.696; (9)Molar Refractivity: 120.81 cm3; (10)Molar Volume: 313.9 cm3; (11)Surface Tension: 60.3 dyne/cm; (12)Density: 1.26 g/cm3; (13)Flash Point: 285.4 °C; (14)Enthalpy of Vaporization: 82.78 kJ/mol; (15)Boiling Point: 548.2 °C at 760 mmHg; (16)Vapour Pressure: 4.51E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCC5C(=CC(=O)S5)C4
(2)InChI: InChI=1/C26H23NOS/c28-25-18-20-19-27(17-16-24(20)29-25)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,18,24H,16-17,19H2
(3)InChIKey: QWWKINCXTMBNIV-UHFFFAOYAV
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