CAS No.5650-51-1,AKOS BB-9698 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5650-51-1
Name:	AKOS BB-9698
Article Data:	11

Formula:	C₇H₆OS
Molecular Weight:	138.19
Synonyms:	5,6-Dihydrocyclopenta[b]thiophen-4-one;
Density:	1.322 g/cm³
Melting Point:	115-117 °C
Boiling Point:	239.6 °C at 760 mmHg
Flash Point:	99 ºC
PSA:	45.31000
LogP:	1.87700

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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