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

CAS	101517-87-7
Structure
Synonyms	2,4-Dimethyl-6-isobutyl-1,3,5-dithiazine
IUPAC Name	4,6-Dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane
Molecular Weight	205.4
Canonical SMILES	CC1NC(SC(S1)CC(C)C)C
InChI	InChI=1S/C9H19NS2/c1-6(2)5-9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3
InChI Key	FVPPILNIVWRBNY-UHFFFAOYSA-N
Boiling Point	302.9±22.0 °C
Purity	95%+
Density	0.967±0.06 g/cm³
Solubility	Soluble in propylene glycol, triacetin
Exact Mass	205.09589196
Monoisotopic Mass	205.09589196
Odor	Roasted, cocoa, peanut odor
Physical State	Liquid
Refractive Index	n20/D 1.488-1.492(lit.)
Topological Polar Surface Area	62.6 Ų