2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan

C20H22OS2 — CID 13171794

IUPAC2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan
SMILESCC1(C)OC(C)(C)C(Sc2ccccc2)=C1Sc1ccccc1
InChIInChI=1S/C20H22OS2/c1-19(2)17(22-15-11-7-5-8-12-15)18(20(3,4)21-19)23-16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKeyUBIYIDKPRFOCNQ-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.37
Rot. Bonds4

About 2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan

2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan (PubChem CID 13171794) has the molecular formula C20H22OS2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan
PubChem CID13171794
Molecular FormulaC20H22OS2
Molecular Weight342.53 g/mol
Exact Mass342.11
IUPAC Name2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan
SMILESCC1(C)OC(C)(C)C(Sc2ccccc2)=C1Sc1ccccc1
InChIInChI=1S/C20H22OS2/c1-19(2)17(22-15-11-7-5-8-12-15)18(20(3,4)21-19)23-16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKeyUBIYIDKPRFOCNQ-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-methyl-3,4-bis(phenylsulfanyl)but-3-en-2-ol
CID 11162461
[(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene
CID 132507900
carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium
CID 135077081
5-Ethenyl-6-ethoxy-6-fluoro-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628612
(Z)-2-methyl-4-phenylselanyl-3-phenylsulfanylbut-3-en-2-ol
CID 132507899
(2-Methoxy-1-phenylsulfanylbut-3-enyl)sulfanylbenzene
CID 12308498
4-Cyclohexylidene-2-methyl-3-phenylsulfanylbut-3-en-2-ol
CID 13171784
2,2,5,5-Tetramethyl-3-phenylsulfanylfuran
CID 13171787
2,2-Dimethyl-4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-ene
CID 13171788
2,2-Dimethyl-4-phenylsulfanyl-1-oxaspiro[4.4]non-3-ene
CID 13171789
2,2-Dimethyl-3-phenylsulfanyl-1-oxaspiro[4.5]dec-3-ene
CID 13171790
14-Phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene
CID 13171791

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan?
The IUPAC name of 2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan (CID 13171794) is 2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan.
What is the SMILES notation for 2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan?
The canonical SMILES for 2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan is CC1(C)OC(C)(C)C(Sc2ccccc2)=C1Sc1ccccc1.
What is the InChIKey of 2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan?
The InChIKey is UBIYIDKPRFOCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22OS2/c1-19(2)17(22-15-11-7-5-8-12-15)18(20(3,4)21-19)23-16-13-9-6-10-14-16/h5-14H,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan?
2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan has a molecular weight of 342.53 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3,4-bis(phenylsulfanyl)furan is sourced from PubChem (CID 13171794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).