2,2,5,5-tetramethyl-3-phenylsulfanylfuran

C14H18OS — CID 13171787

IUPAC2,2,5,5-tetramethyl-3-phenylsulfanylfuran
SMILESCC1(C)C=C(Sc2ccccc2)C(C)(C)O1
InChIInChI=1S/C14H18OS/c1-13(2)10-12(14(3,4)15-13)16-11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyUGOFIRLTZNLMKF-UHFFFAOYSA-N
MW234.36 g/mol
LogP4.25
Rot. Bonds2

About 2,2,5,5-tetramethyl-3-phenylsulfanylfuran

2,2,5,5-tetramethyl-3-phenylsulfanylfuran (PubChem CID 13171787) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-phenylsulfanylfuran.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-phenylsulfanylfuran
PubChem CID13171787
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name2,2,5,5-tetramethyl-3-phenylsulfanylfuran
SMILESCC1(C)C=C(Sc2ccccc2)C(C)(C)O1
InChIInChI=1S/C14H18OS/c1-13(2)10-12(14(3,4)15-13)16-11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyUGOFIRLTZNLMKF-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol
CID 373327
4-(4-Fluorophenyl)sulfanyl-5,5-dimethylfuran-2-one
CID 10537890
5,5-Dimethyl-4-(phenylsulfanyl)furan-2(5H)-one
CID 336047
carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium
CID 135077081
[(E)-4-methoxybut-2-enyl]sulfanylbenzene
CID 177930234
1,1-Dimethyl-2-(phenylthio)-2,3-butadienyl acetate
CID 373326
5-Ethenyl-6-fluoro-6-methoxy-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628606
5-Ethenyl-6-ethoxy-6-fluoro-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628612
1-Fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene
CID 150256500
(2-Methyl-3-phenylsulfanylbut-3-en-2-yl) acetate
CID 11715634
Benzene, [(2-methoxy-1-methylene-2-propenyl)thio]-
CID 12291781
[[(1Z)-2-methoxybuta-1,3-dienyl]thio]benzene
CID 12308500

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-phenylsulfanylfuran?
The IUPAC name of 2,2,5,5-tetramethyl-3-phenylsulfanylfuran (CID 13171787) is 2,2,5,5-tetramethyl-3-phenylsulfanylfuran.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-phenylsulfanylfuran?
The canonical SMILES for 2,2,5,5-tetramethyl-3-phenylsulfanylfuran is CC1(C)C=C(Sc2ccccc2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-3-phenylsulfanylfuran?
The InChIKey is UGOFIRLTZNLMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-13(2)10-12(14(3,4)15-13)16-11-8-6-5-7-9-11/h5-10H,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-3-phenylsulfanylfuran?
2,2,5,5-tetramethyl-3-phenylsulfanylfuran has a molecular weight of 234.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-phenylsulfanylfuran is sourced from PubChem (CID 13171787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).