2,5-Dimethyl-3-thioisovalerylfuran

CAS	55764-28-8
Structure
Synonyms	3-Methylthiobutyric acid S-(2,5-dimethyl-3-furyl) ester
IUPAC Name	S-(2,5-Dimethylfuran-3-yl) 3-methylbutanethioate
Molecular Weight	212.31
Canonical SMILES	CC1=CC(=C(O1)C)SC(=O)CC(C)C
InChI	InChI=1S/C11H16O2S/c1-7(2)5-11(12)14-10-6-8(3)13-9(10)4/h6-7H,5H2,1-4H3
InChI Key	XFNLWIPNTYNNJX-UHFFFAOYSA-N
Boiling Point	277.0±40.0 °C
Purity	95%+
Density	1.07±0.1 g/cm³
Solubility	Insoluble in water; slighty soluble in fat
Exact Mass	212.08710092
Monoisotopic Mass	212.08710092
Odor	Roast aroma
Physical State	Liquid
Topological Polar Surface Area	55.5 Ų