4H-1-Benzothiopyran-4-one,6,7-difluoro-2,3-dihydro- (1097802-78-2)

The systematic name of 6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one is 6,7-difluoro-2,3-dihydro-4H-thiochromen-4-one. With the CAS registry number 1097802-78-2, it is also named as 4H-1-Benzothiopyran-4-one,6,7-difluoro-2,3-dihydro-. In addition, its molecular formula is C₉H₆F₂OS and its molecular weight is 200.21.

The other characteristics of 6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one can be summarized as: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.21; (6)ACD/BCF (pH 7.4): 24.21; (7)ACD/KOC (pH 5.5): 340.67; (8)ACD/KOC (pH 7.4): 340.67; (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: 1.578; (14)Molar Refractivity: 46.7 cm³; (15)Molar Volume: 140.6 cm³; (16)Polarizability: 18.51×10^-24cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.423 g/cm³; (19)Flash Point: 144.4 °C; (20)Enthalpy of Vaporization: 55.63 kJ/mol; (21)Boiling Point: 315.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000447 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc1cc2c(cc1F)SCCC2=O
(2)InChI:InChI=1/C9H6F2OS/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4H,1-2H2
(3)InChIKey:ZKHRMJIMQAGHPD-UHFFFAOYAS
(4)Std. InChI:InChI=1S/C9H6F2OS/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4H,1-2H2
(5)Std. InChIKey:ZKHRMJIMQAGHPD-UHFFFAOYSA-N