Specification
Synonyms
3-(Furfurylthio)propionic acid methyl ester
IUPAC Name
Methyl 3-(furan-2-ylmethylsulfanyl)propanoate
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
Density
1.163 g/mL at 25 °C(lit.)
Solubility
Practically insoluble to insoluble in water
Monoisotopic Mass
200.05071541
Refractive Index
n20/D 1.5120(lit.)
Topological Polar Surface Area
64.7 Ų