Methyl 2-(methylthio)butyrate

Catalog	ACM51534668
CAS	51534-66-8
Structure
Synonyms	Butanoic acid, 2-(methylthio)-, methyl ester
IUPAC Name	Methyl 2-methylsulfanylbutanoate
Molecular Weight	148.23
Molecular Formula	C6H12O2S
Canonical SMILES	CCC(C(=O)OC)SC
InChI	InChI=1S/C6H12O2S/c1-4-5(9-3)6(7)8-2/h5H,4H2,1-3H3
InChI Key	PBYSEUNXLXTEAN-UHFFFAOYSA-N
Boiling Point	103-104 °C
Flash Point	148 °F
Purity	95%+
Density	1.028 g/mL at 25 °C(lit.)
Exact Mass	148.05580079
Monoisotopic Mass	148.05580079
Refractive Index	n20/D 1.461(lit.)
Topological Polar Surface Area	51.6 Ų