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86241-90-9

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Basic Information
CAS No.: 86241-90-9
Name: 2,4,6-Trimethyl-1,3,5-dithiazine
Article Data: 5
Molecular Structure:
Molecular Structure of 86241-90-9 (2,4,6-Trimethyl-1,3,5-dithiazine)
Formula: C6H13NS2
Molecular Weight: 163.308
Synonyms: NSC 418;
Density: 1.011 g/cm3
Boiling Point: 260.7 °C at 760 mmHg
Flash Point: 111.5 °C
PSA: 62.63000
LogP: 2.42280
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Specification

The 4H-1,3,5-Dithiazine,dihydro-2,4,6-trimethyl-, with CAS registry number 86241-90-9, has the systematic name of 2,4,6-trimethyl-1,3,5-dithiazinane. Besides this, it is also called 1,3,5-Dithiazine, perhydro-2,4,6-trimethyl. And the chemical formula of this chemical is C6H13NS2.

Physical properties of 4H-1,3,5-Dithiazine,dihydro-2,4,6-trimethyl-: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 1.86; (6)ACD/BCF (pH 7.4): 13.79; (7)ACD/KOC (pH 5.5): 29.97; (8)ACD/KOC (pH 7.4): 222.22; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 53.84 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 47.63 cm3; (15)Molar Volume: 161.4 cm3; (16)Polarizability: 18.88×10-24cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 1.011 g/cm3; (19)Flash Point: 111.5 °C; (20)Enthalpy of Vaporization: 49.84 kJ/mol; (21)Boiling Point: 260.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0121 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S1C(NC(SC1C)C)C
(2)InChI: InChI=1/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3
(3)InChIKey: FBMVFHKKLDGLJA-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3
(5)Std. InChIKey: FBMVFHKKLDGLJA-UHFFFAOYSA-N