1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene

C12H18OS — CID 143233816

IUPAC1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene
SMILESCCC(C)(C)c1ccc(OSC)cc1
InChIInChI=1S/C12H18OS/c1-5-12(2,3)10-6-8-11(9-7-10)13-14-4/h6-9H,5H2,1-4H3
InChIKeyLEOOKJJDGSYBMG-UHFFFAOYSA-N
MW210.34 g/mol
LogP4.03
Rot. Bonds4

About 1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene

1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene (PubChem CID 143233816) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene
PubChem CID143233816
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene
SMILESCCC(C)(C)c1ccc(OSC)cc1
InChIInChI=1S/C12H18OS/c1-5-12(2,3)10-6-8-11(9-7-10)13-14-4/h6-9H,5H2,1-4H3
InChIKeyLEOOKJJDGSYBMG-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-4-methylsulfanyloxybenzene
CID 14212448
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane
CID 167255011
[4-(2-methylbutan-2-yl)phenyl] cyanate
CID 174165723
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
CID 78944666
(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
CID 28537427
4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzonitrile
CID 20986224
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
1-(6-bromohexoxy)-4-(2-methylbutan-2-yl)benzene
CID 154085988
tris[4-(2-methylbutan-2-yl)phenyl]phosphane
CID 12900990
2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
CID 43100661

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene?
The IUPAC name of 1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene (CID 143233816) is 1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene?
The canonical SMILES for 1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene is CCC(C)(C)c1ccc(OSC)cc1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene?
The InChIKey is LEOOKJJDGSYBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-5-12(2,3)10-6-8-11(9-7-10)13-14-4/h6-9H,5H2,1-4H3.
What are the key properties of 1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene?
1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene has a molecular weight of 210.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene is sourced from PubChem (CID 143233816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).