3-(Methylthio)propyl acetate

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Catalog Number
ACM16630550
Product Name
3-(Methylthio)propyl acetate
Structure
Structure
CAS
16630-55-0
Category
Heterocyclic Organic Compound
Synonyms
Acetic acid 3-(methylthio)propyl ester
IUPAC Name
3-Methylsulfanylpropyl acetate
Molecular Weight
148.23
Molecular Formula
C6H12O2S
Canonical SMILES
CC(=O)OCCCSC
InChI
InChI=1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3
InChI Key
LPZQTNIAYMRVMF-UHFFFAOYSA-N
Boiling Point
96 °C
Density
1.041 g/cm³
Solubility
Very slightly soluble in water; soluble in alcohol and oils
Exact Mass
148.05580079
H-Bond Acceptor
2
H-Bond Donor
0
Monoisotopic Mass
148.05580079
Odor
Fatty, estery odor
Physical State
Liquid
Refractive Index
n20/D 1.4610-1.4650(lit.)
Topological Polar Surface Area
51.6 Ų
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