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74595-94-1

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Basic Information
CAS No.: 74595-94-1
Name: Triisobutyldihydrodithiazine
Molecular Structure:
Molecular Structure of 74595-94-1 (Triisobutyldihydrodithiazine)
Formula: C15H31NS2
Molecular Weight: 289.55
Synonyms: 2.4.6-Trisobutyl-5.6-dihydro-1.3.5-dithiazine;4H-1,3,5-Dithiazine,dihydro-2,4,6-tris(2-methylpropyl)-;Dihydro-2,4,6-triisobutyl-4H-1,3,5-dithiazine;
EINECS: 457-290-0
Density: 0.921 g/cm3
Boiling Point: 385.2 ºC at 760 mmHg
Flash Point: 186.8 ºC
PSA: 62.63000
LogP: 5.50140
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Chemistry

Molecular Structure of Triisobutyldihydrodithiazine (CAS NO.74595-94-1):

Systematic Name: 2,4,6-Triisobutyl-1,3,5-dithiazinane 
SMILES: CC(C)CC1SC(NC(CC(C)C)S1)CC(C)C
InChI: InChI=1/C15H31NS2/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-16H,7-9H2,1-6H3
InChIKey: RQGPQWUKHADVPF-UHFFFAOYAI 
Empirical Formula: C15H31NS2
Molecular Weight: 289.5433
Nominal Mass: 289 Da
Average Mass: 289.5433 Da
Monoisotopic Mass: 289.18979 Da 
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 6
Index of Refraction: 1.479
Molar Refractivity: 89.16 cm3
Molar Volume: 314.3 cm3
Surface Tension: 31.9 dyne/cm
Density: 0.921 g/cm3
Flash Point: 186.8 °C
Enthalpy of Vaporization: 63.4 kJ/mol
Boiling Point: 385.2 °C at 760 mmHg
Vapour Pressure: 3.86E-06 mmHg at 25 °C
FEMA: 4017
Product Categories: Flavor

Specification

 Triisobutyldihydrodithiazine (CAS NO.74595-94-1), its Synonyms are 4H-1,3,5-Dithiazine,dihydro-2,4,6-tris(2-methylpropyl)- ; 2,4,6-Truisobutyl-5,6-dihydro-1,3,5-dithiazine ; Dihydro-2,4,6-triisobutyl-4H-1,3,5-dithiazine .