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Basic Information
CAS No.: 104691-41-0
Name: Dimethylisopropyldihydro-1,3,5-dithiazine
Molecular Structure:
Molecular Structure of 104691-41-0 (Dimethylisopropyldihydro-1,3,5-dithiazine)
Formula: C8H17NS2
Molecular Weight: 191.36
Synonyms: 2.(4)-Isopropyl-4(2).6-Dimethyl-1.3.5-Dithiazine;
Density: 0.988 g/cm3
Boiling Point: 286.3 °C at 760 mmHg
Flash Point: 126.9 °C
PSA: 62.63000
LogP: 3.05890
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Specification

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