3-methyl-2-phenylsulfanyl-2H-furan-5-one

C11H10O2S — CID 15683774

IUPAC3-methyl-2-phenylsulfanyl-2H-furan-5-one
SMILESCC1=CC(=O)OC1Sc1ccccc1
InChIInChI=1S/C11H10O2S/c1-8-7-10(12)13-11(8)14-9-5-3-2-4-6-9/h2-7,11H,1H3
InChIKeyWOAFHCVSOAEQDO-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.61
Rot. Bonds2

About 3-methyl-2-phenylsulfanyl-2H-furan-5-one

3-methyl-2-phenylsulfanyl-2H-furan-5-one (PubChem CID 15683774) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-methyl-2-phenylsulfanyl-2H-furan-5-one.

Molecular Properties

Compound Name3-methyl-2-phenylsulfanyl-2H-furan-5-one
PubChem CID15683774
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name3-methyl-2-phenylsulfanyl-2H-furan-5-one
SMILESCC1=CC(=O)OC1Sc1ccccc1
InChIInChI=1S/C11H10O2S/c1-8-7-10(12)13-11(8)14-9-5-3-2-4-6-9/h2-7,11H,1H3
InChIKeyWOAFHCVSOAEQDO-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

17277-58-6
CID 123375
ethyl (2E,4E)-5-hydroxy-2-phenylsulfanylpenta-2,4-dienoate
CID 14373064
Acetic acid, (phenylthio)-, ethyl ester
CID 97312
Ethyl Fluoro(phenylthio)acetate
CID 11148583
2-Propenoic acid, 2-(phenylthio)ethyl ester
CID 22676929
5-tert-Butyl-3-(phenylthio)-2(5H)-furanone
CID 369519
2-(Benzenesulfonyl)ethyl prop-2-enoate
CID 44377390
Ethyl 3-phenylthiopropionate
CID 320403
Methyl 3-(phenylthio)propionate
CID 350367
Acrylic acid, 3-(phenylthio)-, ethyl ester
CID 5373873
Methyl 3-(phenylthio)isobutyrate
CID 94772
Ethyl 2-((phenylsulfonyl)methyl)acrylate
CID 361163

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylsulfanyl-2H-furan-5-one?
The IUPAC name of 3-methyl-2-phenylsulfanyl-2H-furan-5-one (CID 15683774) is 3-methyl-2-phenylsulfanyl-2H-furan-5-one.
What is the SMILES notation for 3-methyl-2-phenylsulfanyl-2H-furan-5-one?
The canonical SMILES for 3-methyl-2-phenylsulfanyl-2H-furan-5-one is CC1=CC(=O)OC1Sc1ccccc1.
What is the InChIKey of 3-methyl-2-phenylsulfanyl-2H-furan-5-one?
The InChIKey is WOAFHCVSOAEQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-8-7-10(12)13-11(8)14-9-5-3-2-4-6-9/h2-7,11H,1H3.
What are the key properties of 3-methyl-2-phenylsulfanyl-2H-furan-5-one?
3-methyl-2-phenylsulfanyl-2H-furan-5-one has a molecular weight of 206.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylsulfanyl-2H-furan-5-one is sourced from PubChem (CID 15683774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).