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15022-15-8

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Basic Information
CAS No.: 15022-15-8
Name: 2-Thiopheneacetaldehyde
Article Data: 24
Molecular Structure:
Molecular Structure of 15022-15-8 (2-Thiopheneacetaldehyde)
Formula: C6H6OS
Molecular Weight: 126.179
Synonyms: Thiophen-2-ylacetaldehyde;
Density: 1.157 g/cm3
Boiling Point: 203.4 °C at 760 mmHg
Flash Point: 76.8 °C
PSA: 45.31000
LogP: 1.48950
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Specification

The 2-Thiopheneacetaldehyde, with the CAS registry number of 15022-15-8, is also known as Thienylethanal. It belongs to the product category of Thiophens. This chemical's molecular formula is C6H6OS and molecular weight is 126.1762. What's more, its systematic name is called Thiophen-2-ylacetaldehyde.

Physical properties about 2-Thiopheneacetaldehyde are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.54; (6)ACD/BCF (pH 7.4): 7.54; (7)ACD/KOC (pH 5.5): 147.78; (8)ACD/KOC (pH 7.4): 147.78; (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: 1.543; (14)Molar Refractivity: 34.37 cm3; (15)Molar Volume: 109 cm3; (16)Surface Tension: 40.9 dyne/cm; (17)Density: 1.157 g/cm3; (18)Flash Point: 76.8 °C; (19)Enthalpy of Vaporization: 43.96 kJ/mol; (20)Boiling Point: 203.4 °C at 760 mmHg; (21)Vapour Pressure: 0.279 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CCc1sccc1
(2) InChI: InChI=1/C6H6OS/c7-4-3-6-2-1-5-8-6/h1-2,4-5H,3H2
(3) InChIKey: JTGKLBDOZYMAEA-UHFFFAOYAN