Products Categories
CAS No.: | 872283-26-6 |
---|---|
Name: | 2,3-Dihydro-6,8-dimethyl-4H-1-benzothiopyran-4-one |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C11H12OS |
Molecular Weight: | 192.282 |
Synonyms: | 6,8-dimethyl-3,4-dihydro-2H-1-benzothiopyran-4-one;Mbmtpp;6,8-Dimethyl-thiochroman-4-on;MIII;6,8-dimethylthio-7-methylpyrrolo <1,2-a> pyrazine;6,8-dimethyl-thiochroman-4-one;7-methyl-6,8-dimethylthio-pyrrolo<1,2-a>pyrazine;Metabolite III;7-Methyl-6,8-bis(methylthio)pyrrolo[1,2-a]pyrazine; |
Density: | 1.167 g/cm3 |
Melting Point: | 38-39 °C |
Boiling Point: | 341.386 °C at 760 mmHg |
Flash Point: | 184.428 °C |
PSA: | 42.37000 |
LogP: | 2.98190 |
What can I do for you?
Get Best Price
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