2-methyl-2-methylsulfanyl-5-phenylfuran-3-one

C12H12O2S — CID 14533324

IUPAC2-methyl-2-methylsulfanyl-5-phenylfuran-3-one
SMILESCSC1(C)OC(c2ccccc2)=CC1=O
InChIInChI=1S/C12H12O2S/c1-12(15-2)11(13)8-10(14-12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyFKMRWDAAAZKFCL-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-2-methylsulfanyl-5-phenylfuran-3-one

2-methyl-2-methylsulfanyl-5-phenylfuran-3-one (PubChem CID 14533324) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-5-phenylfuran-3-one.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-5-phenylfuran-3-one
PubChem CID14533324
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name2-methyl-2-methylsulfanyl-5-phenylfuran-3-one
SMILESCSC1(C)OC(c2ccccc2)=CC1=O
InChIInChI=1S/C12H12O2S/c1-12(15-2)11(13)8-10(14-12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyFKMRWDAAAZKFCL-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one
CID 135029124
7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one
CID 2825367
(5S,9R)-9-ethyl-9-methyl-2-phenyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione
CID 102521058
2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one
CID 3116079
(2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one
CID 92857426
7-hydroxy-7-methyl-3-phenylisochromene-6,8-dione
CID 6917370
2,2,3,4-tetrafluoro-6-phenylpyran
CID 12635490
(2S)-6-(4-chlorophenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one
CID 1294536
5-iodo-2,2-dimethyl-6-phenyl-1,3-dioxin-4-one
CID 11771851
1-hydroxy-2,2-dimethyl-5-phenylpyrrol-3-one
CID 42604620
benzene;1,1'-biphenyl;ethane
CID 158550617
1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one
CID 3121604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-5-phenylfuran-3-one?
The IUPAC name of 2-methyl-2-methylsulfanyl-5-phenylfuran-3-one (CID 14533324) is 2-methyl-2-methylsulfanyl-5-phenylfuran-3-one.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-5-phenylfuran-3-one?
The canonical SMILES for 2-methyl-2-methylsulfanyl-5-phenylfuran-3-one is CSC1(C)OC(c2ccccc2)=CC1=O.
What is the InChIKey of 2-methyl-2-methylsulfanyl-5-phenylfuran-3-one?
The InChIKey is FKMRWDAAAZKFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-12(15-2)11(13)8-10(14-12)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2-methyl-2-methylsulfanyl-5-phenylfuran-3-one?
2-methyl-2-methylsulfanyl-5-phenylfuran-3-one has a molecular weight of 220.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-5-phenylfuran-3-one is sourced from PubChem (CID 14533324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).