4H-Thieno[2,3-b]thiopyran-4-one,5,6-dihydro-6-methyl- (120279-85-8)

The 5,6-Dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-4-one with the CAS number 120279-85-8 is also called 4H-Thieno[2,3-b]thiopyran-4-one,5,6-dihydro-6-methyl-. The systematic name is 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-one. Its molecular formula is C₈H₈OS₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.5; (6)ACD/BCF (pH 7.4): 49.5; (7)ACD/KOC (pH 5.5): 568.37; (8)ACD/KOC (pH 7.4): 568.37; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 70.61 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 49.81 cm³; (15)Molar Volume: 141.7 cm³; (16)Polarizability: 19.74×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Enthalpy of Vaporization: 54.81 kJ/mol; (19)Vapour Pressure: 0.000722 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CC(C)Sc1sccc12
(2)InChI: InChI=1/C8H8OS2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-3,5H,4H2,1H3
(3)InChIKey: FLJFMDYYNMNASJ-UHFFFAOYAN