Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester

CAS	2432-91-9
Structure
Synonyms	Tert- butyl 3-methyl butane thioate
IUPAC Name	S-Butan-2-yl 3-methylbutanethioate
Molecular Weight	174.31
Canonical SMILES	CCC(C)SC(=O)CC(C)C
InChI	InChI=1S/C9H18OS/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3
InChI Key	MQAVHZCNCJTJJP-UHFFFAOYSA-N
Boiling Point	217.4±9.0 °C
Purity	95%+
Density	0.922±0.06 g/cm³
Exact Mass	174.10783637
Monoisotopic Mass	174.10783637
Topological Polar Surface Area	42.4 Ų