2-(4-tert-butylphenyl)sulfanyloxane

C15H22OS — CID 10083483

IUPAC2-(4-tert-butylphenyl)sulfanyloxane
SMILESCC(C)(C)c1ccc(SC2CCCCO2)cc1
InChIInChI=1S/C15H22OS/c1-15(2,3)12-7-9-13(10-8-12)17-14-6-4-5-11-16-14/h7-10,14H,4-6,11H2,1-3H3
InChIKeyQLPXEIHBWMCORY-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.60
Rot. Bonds2

About 2-(4-tert-butylphenyl)sulfanyloxane

2-(4-tert-butylphenyl)sulfanyloxane (PubChem CID 10083483) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyloxane.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyloxane
PubChem CID10083483
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name2-(4-tert-butylphenyl)sulfanyloxane
SMILESCC(C)(C)c1ccc(SC2CCCCO2)cc1
InChIInChI=1S/C15H22OS/c1-15(2,3)12-7-9-13(10-8-12)17-14-6-4-5-11-16-14/h7-10,14H,4-6,11H2,1-3H3
InChIKeyQLPXEIHBWMCORY-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-
CID 213096
Ethyl 3-(4-tert-butylphenyl)sulfanylpropanoate
CID 43093183
1-(1,1-Dimethylethyl)-4-(ethylthio)benzene
CID 13076836
4-Methyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361775
1-[(R)-2-ethoxyethylsulfinyl]-4-methylbenzene
CID 15004745
1-Tert-butyl-4-cyclohexylsulfanylbenzene
CID 22367519
(2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol
CID 100924600
2-(4-Methylphenyl)sulfanyloxane
CID 10104512
1-Tert-butyl-4-butylsulfanylbenzene
CID 15353476
1-Allylsulfanyl-4-tert-butylbenzene
CID 18993440
(4-t-Butylphenylthiomethyl)benzene
CID 54453374
2-(4-Methylphenyl)sulfanyl-1,4-dioxane
CID 102103303

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyloxane?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyloxane (CID 10083483) is 2-(4-tert-butylphenyl)sulfanyloxane.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyloxane?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyloxane is CC(C)(C)c1ccc(SC2CCCCO2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyloxane?
The InChIKey is QLPXEIHBWMCORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-15(2,3)12-7-9-13(10-8-12)17-14-6-4-5-11-16-14/h7-10,14H,4-6,11H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfanyloxane?
2-(4-tert-butylphenyl)sulfanyloxane has a molecular weight of 250.41 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyloxane is sourced from PubChem (CID 10083483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).