CAS No.10133-30-9,1-BENZOTHIOPHENE-5-CARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10133-30-9
Name:	1-BENZOTHIOPHENE-5-CARBALDEHYDE
Article Data:	14

Formula:	C₉H₆OS
Molecular Weight:	162.212
Synonyms:	5-Benzo[b]thiophenecarboxaldehyde;5-Benzothiophenecarboxaldehyde;5-Formylbenzo[b]thiophene;5-Formylbenzothiophene;Benzothiophen-5-carboxaldehyde;
Density:	1.3 g/cm³
Melting Point:	53 °C
Boiling Point:	303.2 °C at 760 mmHg
Flash Point:	137.2 °C
PSA:	45.31000
LogP:	2.71380

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Specification

The Benzo[b]thiophene-5-carboxaldehyde, with the CAS registry number 10133-30-9, is also known as ZINC02547786. This chemical's molecular formula is C₉H₆OS and molecular weight is 162.2083. Its IUPAC name is called 1-benzothiophene-5-carbaldehyde.

Physical properties of Benzo[b]thiophene-5-carboxaldehyde: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 456.33; (6)ACD/BCF (pH 7.4): 456.33; (7)ACD/KOC (pH 5.5): 2786.84; (8)ACD/KOC (pH 7.4): 2786.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.719; (13)Molar Refractivity: 49.23 cm³; (14)Molar Volume: 124.6 cm³; (15)Surface Tension: 54.8 dyne/cm; (16)Density: 1.3 g/cm³; (17)Flash Point: 137.2 °C; (18)Enthalpy of Vaporization: 54.35 kJ/mol; (19)Boiling Point: 303.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000944 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=CS2)C=C1C=O
(2)InChI: InChI=1S/C9H6OS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H
(3)InChIKey: QHHRWAPVYHRAJA-UHFFFAOYSA-N