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Name |
Dimethylisopropyldihydro-1,3,5-dithiazine |
EINECS | N/A |
CAS No. | 104691-41-0 | Density | 0.988 g/cm3 |
PSA | 62.63000 | LogP | 3.05890 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H17NS2 | Boiling Point | 286.3 °C at 760 mmHg |
Molecular Weight | 191.36 | Flash Point | 126.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2.(4)-Isopropyl-4(2).6-Dimethyl-1.3.5-Dithiazine; |
The Dimethylisopropyldihydro-1,3,5-dithiazine, with the CAS registry number 104691-41-0, is also known as 4H-1,3,5-Dithiazine, dihydro-2,4-dimethyl-6-(1-methylethyl)-. It belongs to the product category of Flavor. This chemical's molecular formula is C8H17NS2 and molecular weight is 191.36. Its systematic name is called 2,4-dimethyl-6-(propan-2-yl)-1,3,5-dithiazinane.
Physical properties of Dimethylisopropyldihydro-1,3,5-dithiazine: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 11.08; (6)ACD/BCF (pH 7.4): 65.54; (7)ACD/KOC (pH 5.5): 115.32; (8)ACD/KOC (pH 7.4): 682.13; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.498; (13)Molar Refractivity: 56.78 cm3; (14)Molar Volume: 193.5 cm3; (15)Surface Tension: 28.1 dyne/cm; (16)Density: 0.988 g/cm3; (17)Flash Point: 126.9 °C; (18)Enthalpy of Vaporization: 52.54 kJ/mol; (19)Boiling Point: 286.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00266 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S1C(NC(SC1C)C(C)C)C
(2)InChI: InChI=1/C8H17NS2/c1-5(2)8-9-6(3)10-7(4)11-8/h5-9H,1-4H3
(3)InChIKey: NOOYZCFJVKLILW-UHFFFAOYAY