Methylthio 2-methylbutyrate

CAS	42075-45-6
Structure
Synonyms	S-Tropical 2-thiobutyrate
IUPAC Name	S-Methyl 2-methylbutanethioate
Molecular Weight	132.23
Canonical SMILES	CCC(C)C(=O)SC
InChI	InChI=1S/C6H12OS/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChI Key	IAMIOPHEADLKFT-UHFFFAOYSA-N
Boiling Point	158.1±9.0 °C
Purity	95%+
Density	0.950±0.06 g/cm³
Solubility	Insoluble in water; soluble in fats and alcohols
Exact Mass	132.06088618
Monoisotopic Mass	132.06088618
Physical State	Liquid
Refractive Index	n20/D 1.456-1.462(lit.)
Topological Polar Surface Area	42.4 Ų