2-tert-butyl-5-ethyl-3-phenylsulfanylfuran

C16H20OS — CID 10945190

IUPAC2-tert-butyl-5-ethyl-3-phenylsulfanylfuran
SMILESCCc1cc(Sc2ccccc2)c(C(C)(C)C)o1
InChIInChI=1S/C16H20OS/c1-5-12-11-14(15(17-12)16(2,3)4)18-13-9-7-6-8-10-13/h6-11H,5H2,1-4H3
InChIKeyKWMLFMFWKJKWPS-UHFFFAOYSA-N
MW260.40 g/mol
LogP5.29
Rot. Bonds3

About 2-tert-butyl-5-ethyl-3-phenylsulfanylfuran

2-tert-butyl-5-ethyl-3-phenylsulfanylfuran (PubChem CID 10945190) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-3-phenylsulfanylfuran.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-3-phenylsulfanylfuran
PubChem CID10945190
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name2-tert-butyl-5-ethyl-3-phenylsulfanylfuran
SMILESCCc1cc(Sc2ccccc2)c(C(C)(C)C)o1
InChIInChI=1S/C16H20OS/c1-5-12-11-14(15(17-12)16(2,3)4)18-13-9-7-6-8-10-13/h6-11H,5H2,1-4H3
InChIKeyKWMLFMFWKJKWPS-UHFFFAOYSA-N
XLogP5.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-methyl-1-phenylsulfanylbenzene
CID 134392387
1,4-ditert-butyl-2,3-difluoro-5-phenylsulfanylbenzene
CID 153327256
ethanethiol;phenylsulfanylbenzene
CID 174826904
2,4-ditert-butyl-6-phenylsulfanylphenol
CID 12058921
7-tert-butyl-2-phenylsulfanyl-1-benzofuran
CID 102503536
(1S)-1-(2-phenylsulfanylphenyl)propan-1-ol
CID 103960694
5-phenylsulfanylbenzene-1,2,3,4-tetramine
CID 139667343
1-(2-phenylsulfanylphenyl)pentan-1-amine
CID 58625272
CID 66690055
CID 66690055
3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-tert-butylfuran
CID 15330236
1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine
CID 55238932
2,6-ditert-butyl-4-[[3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-phenylsulfanylphenyl]methyl]phenol
CID 58276202

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-3-phenylsulfanylfuran?
The IUPAC name of 2-tert-butyl-5-ethyl-3-phenylsulfanylfuran (CID 10945190) is 2-tert-butyl-5-ethyl-3-phenylsulfanylfuran.
What is the SMILES notation for 2-tert-butyl-5-ethyl-3-phenylsulfanylfuran?
The canonical SMILES for 2-tert-butyl-5-ethyl-3-phenylsulfanylfuran is CCc1cc(Sc2ccccc2)c(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-5-ethyl-3-phenylsulfanylfuran?
The InChIKey is KWMLFMFWKJKWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-5-12-11-14(15(17-12)16(2,3)4)18-13-9-7-6-8-10-13/h6-11H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-5-ethyl-3-phenylsulfanylfuran?
2-tert-butyl-5-ethyl-3-phenylsulfanylfuran has a molecular weight of 260.40 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-3-phenylsulfanylfuran is sourced from PubChem (CID 10945190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).