4-((2-Furylmethyl)thio)-4-methylpentan-2-one

Catalog	ACM64835967
CAS	64835-96-7
Structure
Synonyms	4-(Furfurylthio)-4-methyl-2-pentanone
IUPAC Name	4-(Furan-2-ylmethylsulfanyl)-4-methylpentan-2-one
Molecular Weight	212.31
Molecular Formula	C11H16O2S
Canonical SMILES	CC(=O)CC(C)(C)SCC1=CC=CO1
InChI	InChI=1S/C11H16O2S/c1-9(12)7-11(2,3)14-8-10-5-4-6-13-10/h4-6H,7-8H2,1-3H3
InChI Key	NTTNPAOBBWQSPN-UHFFFAOYSA-N
Boiling Point	298.7±25.0 °C
Purity	98%+
Density	1.068±0.06 g/cm³
Exact Mass	212.08710092
Monoisotopic Mass	212.08710092
Topological Polar Surface Area	55.5 Ų