Basic Information | Post buying leads | Suppliers |
Name |
6-Bromo-4,4-Dimethylthiochroman |
EINECS | N/A |
CAS No. | 135913-02-9 | Density | 1.351 g/cm3 |
PSA | 58.72000 | LogP | -0.72360 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13BrS | Boiling Point | 307.481 °C at 760 mmHg |
Molecular Weight | 257.1899 | Flash Point | 139.76 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Bromo-4,4-dimethyl-3,4-dihydro-2H-thiochromene; |
The CAS registry number of 6-Bromo-4,4-Dimethylthiochroman is 135913-02-9. This chemical is also named as 2H-1-Benzothiopyran, 6-bromo-3,4-dihydro-4,4-dimethyl-.In addition, its molecular formula is C11H13BrS and molecular weight is 257.1899. Its systematic name is called 6-bromo-4,4-dimethyl-3,4-dihydro-2H-thiochromene.
Physical properties about 6-Bromo-4,4-Dimethylthiochroman are: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 5562; (6)ACD/BCF (pH 7.4): 5562; (7)ACD/KOC (pH 5.5): 16690; (8)ACD/KOC (pH 7.4): 16690; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 63.601 cm3; (14)Molar Volume: 190.34 cm3; (15)Surface Tension: 41.317 dyne/cm; (16)Density: 1.351 g/cm3; (17)Flash Point: 139.76 °C; (18)Enthalpy of Vaporization: 52.62 kJ/mol; (19)Boiling Point: 307.481 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1SCCC(c1c2)(C)C
(2)InChI: InChI=1/C11H13BrS/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7H,5-6H2,1-2H3
(3)InChIKey: FLNJCJQFSGXLIR-UHFFFAOYAE