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5,6-Dihydrocyclopenta[b]thiophen-4-one

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Name

5,6-Dihydrocyclopenta[b]thiophen-4-one

EINECS N/A
CAS No. 5650-51-1 Density 1.322 g/cm3
PSA 45.31000 LogP 1.87700
Solubility N/A Melting Point 115-117 °C
Formula C7H6OS Boiling Point 239.6 °C at 760 mmHg
Molecular Weight 138.19 Flash Point 99 ºC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5650-51-1 (AKOS BB-9698) Hazard Symbols N/A
Synonyms

5,6-Dihydrocyclopenta[b]thiophen-4-one;

Article Data 11

5,6-Dihydrocyclopenta[b]thiophen-4-one Specification

The cas register number of 5,6-Dihydrocyclopenta[b]thiophen-4-one is 5650-51-1. It also can be called as 4H-Cyclopenta[b]thiophen-4-one, 5,6-dihydro- and the Systematic name about this chemical is 5,6-dihydro-4H-cyclopenta[b]thiophen-4-one.

Physical properties about 5,6-Dihydrocyclopenta[b]thiophen-4-one are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 45.31Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 36.94 cm3; (9)Molar Volume: 104.5 cm3; (10)Surface Tension: 53.4 dyne/cm; (11)Density: 1.322 g/cm3; (12)Flash Point: 98.7 °C; (13)Enthalpy of Vaporization: 47.65 kJ/mol; (14)Boiling Point: 239.6 °C at 760 mmHg; (15)Vapour Pressure: 0.0398 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C2c1c(scc1)CC2
2.InChI: InChI=1/C7H6OS/c8-6-1-2-7-5(6)3-4-9-7/h3-4H,1-2H2
3.InChIKey: KOBLGOHFGYWCRC-UHFFFAOYAC
4.Std. InChI: InChI=1S/C7H6OS/c8-6-1-2-7-5(6)3-4-9-7/h3-4H,1-2H2

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