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834884-61-6

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Basic Information
CAS No.: 834884-61-6
Name: 6-Thien-2-ylnicotinaldehyde
Molecular Structure:
Molecular Structure of 834884-61-6 (6-Thien-2-ylnicotinaldehyde)
Formula: C10H7NOS
Molecular Weight: 189.238
Synonyms: 6-(2-Thienyl)pyridine-3-carbaldehyde;
Density: 1.269 g/cm3
Melting Point: 95 °C
Boiling Point: 340 °C at 760 mmHg
Flash Point: 159.4 °C
PSA: 58.20000
LogP: 2.62260
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Specification

The 3-Pyridinecarboxaldehyde,6-(2-thienyl)-, with the CAS registry number 834884-61-6, is also known as 2-Thien-2-ylpyridine-5-carboxaldehyde. This chemical's molecular formula is C10H7NOS and molecular weight is 189.23368. What's more, its systematic name is called 6-(2-Thienyl)pyridine-3-carbaldehyde.

Physical properties about 3-Pyridinecarboxaldehyde,6-(2-thienyl)- are: (1) ACD/LogP: 2.29; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.29; (4) ACD/LogD (pH 7.4): 2.29; (5) #H bond acceptors: 2; (6) #H bond donors: 0; (7) #Freely Rotating Bonds: 2; (8) Polar Surface Area: 58.2 Å2; (9) Index of Refraction: 1.645; (10) Molar Refractivity: 54.07 cm3; (11) Molar Volume: 149 cm3; (12) Surface Tension: 53.3 dyne/cm; (13) Density: 1.269 g/cm3; (14)Flash Point: 159.4 °C; (15) Enthalpy of Vaporization: 58.35 kJ/mol; (16) Boiling Point: 340 °C at 760 mmHg; (17) Vapour Pressure: 8.88E-05 mmHg at 25 °C; (18) Melting Point: 95 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(sc1)c2ccc(cn2)C=O
(2) InChI: InChI=1/C10H7NOS/c12-7-8-3-4-9(11-6-8)10-2-1-5-13-10/h1-7H
(3) InChIKey: TZMYWLDEGHJHDI-UHFFFAOYAJ