2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane

Base Information

• Chemical Name: 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane
• CAS No.: 101517-87-7
• Molecular Formula: C9H19NS2
• Molecular Weight: 205.3839
• UNII: YOR3E7P831
• DSSTox Substance ID: DTXSID10869362
• Wikidata: Q27294632
• Metabolomics Workbench ID: 48996
• Mol file: 101517-87-7.mol

Synonyms:101517-87-7;2-isobutyl-4,6-dimethyl-1,3,5-dithiazinane;4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane;2-ISOBUTYL-4,6-DIMETHYLDIHYDRO-4H-1,3,5-DITHIAZINE;FEMA No. 3781, 2-isobutyl-;4H-1,3,5-Dithiazine, dihydro-4,6-dimethyl-2-(2-methylpropyl)-;UNII-YOR3E7P831;YOR3E7P831;1,3,5-Dithiazine, perhydro, 4,6-dimethyl-2-(2-methylpropyl);dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-Dithiazine;(+-)-2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane;2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane, (+-)-;SCHEMBL10515734;DTXSID10869362;AKOS015950860;FT-0751686;Q27294632;(+/-)-2-ISOBUTYL-4,6-DIMETHYL-1,3,5-DITHIAZINANE;2-ISOBUTYL-4,6-DIMETHYL-1,3,5-DITHIAZINANE, (+/-)-;DIHYDRO-2-ISOBUTYL-4,6-DIMETHYL-4H-1,3,5-DITHIAZINE

Chemical Property of 2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane

Chemical Property:

• Vapor Pressure: 0.000961mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 302.9 °C at 760 mmHg
• PKA: 6.35±0.70(Predicted)
• Flash Point: 137 °C
• PSA: 62.63000
• Density: 0.967 g/cm³
• LogP: 3.44900
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.09589196
• Heavy Atom Count: 12
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

2-ISOBUTYL-4,6-DIMETHYLDIHYDRO-4H-1,3,5-DITHIAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1NC(SC(S1)CC(C)C)C