[4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane

C14H24S — CID 166984179

IUPAC[4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane
SMILESCC(C)(C)Cc1ccc(S(C)(C)C)cc1
InChIInChI=1S/C14H24S/c1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6/h7-10H,11H2,1-6H3
InChIKeyRIRDINRLLSBPMH-UHFFFAOYSA-N
MW224.41 g/mol
LogP4.33
Rot. Bonds2

About [4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane

[4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane (PubChem CID 166984179) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name[4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane
PubChem CID166984179
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name[4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane
SMILESCC(C)(C)Cc1ccc(S(C)(C)C)cc1
InChIInChI=1S/C14H24S/c1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6/h7-10H,11H2,1-6H3
InChIKeyRIRDINRLLSBPMH-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane?
The IUPAC name of [4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane (CID 166984179) is [4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane.
What is the SMILES notation for [4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane?
The canonical SMILES for [4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane is CC(C)(C)Cc1ccc(S(C)(C)C)cc1.
What is the InChIKey of [4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane?
The InChIKey is RIRDINRLLSBPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6/h7-10H,11H2,1-6H3.
What are the key properties of [4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane?
[4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane has a molecular weight of 224.41 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane is sourced from PubChem (CID 166984179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).