55764-28-8
1-[(2,5-DIMETHYLFURAN-3-YL)SULFANYL]-3-METHYLBUTAN-1-ONE
Name
1-[(2,5-DIMETHYLFURAN-3-YL)SULFANYL]-3-METHYLBUTAN-1-ONE
Formula
C11 H16 O2 S
MolWeight
212.311
1Identification
【Name】
1-[(2,5-DIMETHYLFURAN-3-YL)SULFANYL]-3-METHYLBUTAN-1-ONE
【CAS】
【MDL】
MFCD01716849
【English Synonyms】
【Formula】
C11 H16 O2 S
【MolWeight】
212.311
【Inchi】
InChI=1S/C11H16O2S/c1-7(2)5-11(12)14-10-6-8(3)13-9(10)4/h6-7H,5H2,1-4H3
【InChIKey】
InChIKey=XFNLWIPNTYNNJX-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(o1)C)SC(=O)CC(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[(2,5-DIMETHYLFURAN-3-YL)SULFANYL]-3-METHYLBUTAN-1-ONE.cml
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