CAS No.130-03-0,1-BENZOTHIOPHEN-3(2H)-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	130-03-0
Name:	1-BENZOTHIOPHEN-3(2H)-ONE
Article Data:	66

Formula:	C₈H₆OS
Molecular Weight:	150.201
Synonyms:	1-Benzothiophen-3(2H)-one;
Density:	1.312 g/cm³
Melting Point:	230 °C
Boiling Point:	273.393 °C at 760 mmHg
Flash Point:	143.683 °C
PSA:	42.37000
LogP:	1.97500

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Specification

The Benzo[b]thiophen-3(2H)-one, with the CAS registry number 130-03-0, is also known as 1-Benzothiophen-3-ol. This chemical's molecular formula is C₈H₆OS and molecular weight is 150.2. What's more, its systematic name is 1-Benzothiophen-3(2H)-one.

Physical properties about Benzo[b]thiophen-3(2H)-one are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 232; (8)ACD/KOC (pH 7.4): 232; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.37 Å²; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 42.108 cm³; (15)Molar Volume: 114.5 cm³; (16)Polarizability: 16.693×10^-24 cm³; (17)Surface Tension: 53.749 dyne/cm; (18)Density: 1.312 g/cm³; (19)Flash Point: 143.683 °C; (20)Enthalpy of Vaporization: 51.173 kJ/mol; (21)Boiling Point: 273.393 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CSc1ccccc12
(2) InChI: InChI=1/C8H6OS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
(3) InChIKey: ADHAJDDBRUOZHJ-UHFFFAOYAJ