Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,3-Dihydro-6,8-dimethyl-4H-1-benzothiopyran-4-one |
EINECS | N/A |
CAS No. | 872283-26-6 | Density | 1.167 g/cm3 |
PSA | 42.37000 | LogP | 2.98190 |
Solubility | N/A | Melting Point |
38-39 °C |
Formula | C11H12OS | Boiling Point | 341.386 °C at 760 mmHg |
Molecular Weight | 192.282 | Flash Point | 184.428 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 5 |
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