methyl 3-(furfurylthio)propionate

Catalog	ACM94278269
CAS	94278-26-9
Structure
Synonyms	3-(Furfurylthio)propionic acid methyl ester
IUPAC Name	Methyl 3-(furan-2-ylmethylsulfanyl)propanoate
Molecular Weight	200.26
Molecular Formula	C9H12O3S
Canonical SMILES	COC(=O)CCSCC1=CC=CO1
InChI	InChI=1S/C9H12O3S/c1-11-9(10)4-6-13-7-8-3-2-5-12-8/h2-3,5H,4,6-7H2,1H3
InChI Key	MXXNUXUTQGTBGJ-UHFFFAOYSA-N
Boiling Point	114-116 °C
Flash Point	198 °F
Purity	95%+
Density	1.163 g/mL at 25 °C(lit.)
Solubility	Practically insoluble to insoluble in water
Exact Mass	200.05071541
Monoisotopic Mass	200.05071541
Odor	Earthy sweet aroma
Physical State	Liquid
Refractive Index	n20/D 1.5120(lit.)
Topological Polar Surface Area	64.7 Ų