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| CAS No.: | 26170-87-6 |
|---|---|
| Name: | 4-PHENYL-2-THIOPHENECARBOXALDEHYDE 96 |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C11H8OS |
| Molecular Weight: | 188.25 |
| Synonyms: | 4-Phenylthiophene-2-carboxaldehyde;4-Phenylthiophene-2-carboxaldehyde,4-Phenyl-2-thiophenecarboxaldehyde; |
| Density: | 1.207 g/cm3 |
| Melting Point: | 67-71 °C(lit.) |
| Boiling Point: | 312.4 °C at 760 mmHg |
| Flash Point: | 118.1 °C |
| PSA: | 45.31000 |
| LogP: | 3.22760 |
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Specification
This chemical has the systematic name 4-Phenylthiophene-2-carbaldehyde, and it's also named as 2-thiophenecarboxaldehyde, 4-phenyl-. Its molecular formula is C11H8OS and its molecular weight is 188.24562. Additionally, the CAS registry number of this chemical is 26170-87-6.
Other characteristics of the 4-Phenylthiophene-2-carbaldehyde can be summarised as followings: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 124.05; (6)ACD/BCF (pH 7.4): 124.05; (7)ACD/KOC (pH 5.5): 1097.02; (8)ACD/KOC (pH 7.4): 1097.02; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 55.98 cm3; (15)Molar Volume: 155.8 cm3; (16)Polarizability: 22.19×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.207 g/cm3; (19)Flash Point: 118.1 °C; (20)Enthalpy of Vaporization: 55.34 kJ/mol; (21)Boiling Point: 312.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000531 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc2scc(c1ccccc1)c2
2.InChI: InChI=1/C11H8OS/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
3.InChIKey: TXIFKGWOQSVIMZ-UHFFFAOYAO