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

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Catalog Number

ACM64835967

Product Name

Structure

CAS

64835-96-7

Category

Heterocyclic Organic Compound

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

Density

1.068±0.06 g/cm³

Exact Mass

212.08710092

Monoisotopic Mass

212.08710092

Topological Polar Surface Area

55.5 Å²

MSDS

COA

Spec Sheet

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