2,3-Dihydro-6,8-dimethyl-4H-1-benzothiopyran-4-one (872283-26-6)

The 2,3-Dihydro-6,8-dimethyl-4H-1-benzothiopyran-4-one with the cas number 872283-26-6 is also called 6,8-dimethylthiochroman-4-one. Its molecular formula is C₁₁H₁₂OS. 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: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.144; (4)ACD/LogD (pH 7.4): 1.144; (5)ACD/BCF (pH 5.5): 4.362; (6)ACD/BCF (pH 7.4): 4.362; (7)ACD/KOC (pH 5.5): 99.894; (8)ACD/KOC (pH 7.4): 99.894; (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: 1.6; (14)Molar Refractivity: 56.37 cm³; (15)Molar Volume: 164.789 cm³; (16)Polarizability: 22.347×10^-24cm³; (17)Surface Tension: 44.933 dyne/cm; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(c2c(c1)C(=O)CCS2)C
(2)InChI: InChI=1/C11H12OS/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h5-6H,3-4H2,1-2H3
(3)InChIKey: BRNGNWTZZNSGAK-UHFFFAOYAL