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Basic Information
CAS No.: 10134-91-5
Name: BENZO[B]THIOPHENE-7-CARBALDEHYDE
Molecular Structure:
Molecular Structure of 10134-91-5 (BENZO[B]THIOPHENE-7-CARBALDEHYDE)
Formula: C9H6OS
Molecular Weight: 162.21
Synonyms: 7-Benzothienylcarboxaldehyde;7-Formylbenzo[b]thiophene;Benzo[b]thiophene-7-carboxaldehyde 97%;1-benzothiophene-7-carbaldehyde;
Density: 1.301g/cm3
Melting Point: 42 °C
Boiling Point: 303.204 °C at 760 mmHg
Flash Point: 137.173 °C
Hazard Symbols: HarmfulXn
Risk Codes:  Harmful:;
">  Harmful:;
PSA: 45.31000
LogP: 2.71380
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    Molecular Formula： C9H6OS Molecular Weight： 162.21Appearance:white solid

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Specification

The Benzo[b]thiophene-7-carboxaldehyde has the CAS registry number 10134-91-5. This chemical's molecular formula is C9H6OS and molecular weight is 162.21. What's more, its systematic name is 1-benzothiophene-7-carbaldehyde.

Physical properties of Benzo[b]thiophene-7-carboxaldehyde are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 456; (6)ACD/BCF (pH 7.4): 456; (7)ACD/KOC (pH 5.5): 2787; (8)ACD/KOC (pH 7.4): 2787; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 49.233 cm3; (15)Molar Volume: 124.695 cm3; (16)Polarizability: 19.517×10-24 cm3; (17)Surface Tension: 54.836 dyne/cm; (18)Density: 1.301 g/cm3; (19)Flash Point: 137.173 °C; (20)Enthalpy of Vaporization: 54.348 kJ/mol; (21)Boiling Point: 303.204 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=Cc1cccc2ccsc12
(2)InChI: InChI=1/C9H6OS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-6H
(3)InChIKey: WSSVAOKEXMFMIO-UHFFFAOYAI