3-(Methylthio)hexanal

Catalog	ACM38433748
CAS	38433-74-8
Structure
Synonyms	FEMA 3877;3-(METHYLTHIO) HEXANAL
Molecular Weight	146.25
Molecular Formula	C7H14OS
Canonical SMILES	CCCC(CC=O)SC
InChI	InChI=1S/C7H14OS/c1-3-4-7(9-2)5-6-8/h6-7H,3-5H2,1-2H3
InChI Key	VIVJHDGDCOQORO-UHFFFAOYSA-N
Boiling Point	206.3±23.0 °C
Purity	95%+
Density	0.939±0.06 g/cm³
Solubility	Insoluble in water; soluble in ethanol, triacetin and heptane
Exact Mass	146.07653624
Monoisotopic Mass	146.07653624
Physical State	Liquid
Refractive Index	n20/D 1.475-1.485(lit.)
Topological Polar Surface Area	42.4 Ų