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5-Methoxy-1-benzothiophene-2-carbaldehyde

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Name

5-Methoxy-1-benzothiophene-2-carbaldehyde

EINECS N/A
CAS No. 622864-56-6 Density 1.293 g/cm3
PSA 54.54000 LogP 2.72240
Solubility N/A Melting Point N/A
Formula C10H8O2S Boiling Point 343.412 °C at 760 mmHg
Molecular Weight 192.2343 Flash Point 161.49 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 622864-56-6 (5-Methoxy-1-benzothiophene-2-carbaldehyde) Hazard Symbols N/A
Synonyms

6-Methoxybenzothiophene-2-carbaldehyde;

Article Data 1

5-Methoxy-1-benzothiophene-2-carbaldehyde Specification

The 5-Methoxy-1-benzothiophene-2-carbaldehyde, with the CAS registry number 622864-56-6, has systematic name 6-methoxybenzothiophene-2-carbaldehyde. Its molecular formula is C10H8O2S and its molecular weight is 192.2343. 

Other characteristics of the 5-Methoxy-1-benzothiophene-2-carbaldehyde can be summarised as followings: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.175; (4)ACD/LogD (pH 7.4): 2.175; (5)ACD/BCF (pH 5.5): 26.497; (6)ACD/BCF (pH 7.4): 26.497; (7)ACD/KOC (pH 5.5): 363.364; (8)ACD/KOC (pH 7.4): 363.364; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 55.911 cm3; (15)Molar Volume: 148.697 cm3; (16)Polarizability: 22.165×10-24cm3; (17)Surface Tension: 50.297 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 161.49 °C; (20)Enthalpy of Vaporization: 58.727 kJ/mol; (21)Boiling Point: 343.412 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:  
1.SMILES: COc1ccc2cc(sc2c1)C=O
2.InChI: InChI=1/C10H8O2S/c1-12-8-3-2-7-4-9(6-11)13-10(7)5-8/h2-6H,1H3
3.InChIKey: VHVRCXIIFVHBFI-UHFFFAOYAZ

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