1-tert-butyl-4-methylsulfanyloxybenzene

C11H16OS — CID 14212448

IUPAC1-tert-butyl-4-methylsulfanyloxybenzene
SMILESCSOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H16OS/c1-11(2,3)9-5-7-10(8-6-9)12-13-4/h5-8H,1-4H3
InChIKeyWGSLVCBHFUKVQA-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.64
Rot. Bonds2

About 1-tert-butyl-4-methylsulfanyloxybenzene

1-tert-butyl-4-methylsulfanyloxybenzene (PubChem CID 14212448) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-tert-butyl-4-methylsulfanyloxybenzene.

Molecular Properties

Compound Name1-tert-butyl-4-methylsulfanyloxybenzene
PubChem CID14212448
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name1-tert-butyl-4-methylsulfanyloxybenzene
SMILESCSOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H16OS/c1-11(2,3)9-5-7-10(8-6-9)12-13-4/h5-8H,1-4H3
InChIKeyWGSLVCBHFUKVQA-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.64
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-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene
CID 143233816
1-tert-butyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzene
CID 13358025
(4-tert-butylphenoxy)-methylalumanylium
CID 21461042
N-(4-tert-butylphenoxy)methanamine
CID 170041711
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene
CID 59702789
1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene
CID 129163721
(4-tert-butylphenyl)alumane
CID 174308515
(4-tert-butylphenyl) formate
CID 15727718
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
bis[4-(4-tert-butylphenoxy)phenyl]diazene
CID 86182593
1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene
CID 142044408

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylsulfanyloxybenzene?
The IUPAC name of 1-tert-butyl-4-methylsulfanyloxybenzene (CID 14212448) is 1-tert-butyl-4-methylsulfanyloxybenzene.
What is the SMILES notation for 1-tert-butyl-4-methylsulfanyloxybenzene?
The canonical SMILES for 1-tert-butyl-4-methylsulfanyloxybenzene is CSOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-methylsulfanyloxybenzene?
The InChIKey is WGSLVCBHFUKVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-11(2,3)9-5-7-10(8-6-9)12-13-4/h5-8H,1-4H3.
What are the key properties of 1-tert-butyl-4-methylsulfanyloxybenzene?
1-tert-butyl-4-methylsulfanyloxybenzene has a molecular weight of 196.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylsulfanyloxybenzene is sourced from PubChem (CID 14212448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).