trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane

C12H16O2SSi — CID 5075769

IUPACtrimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane
SMILESCc1ccc(S(=O)(=O)C#C[Si](C)(C)C)cc1
InChIInChI=1S/C12H16O2SSi/c1-11-5-7-12(8-6-11)15(13,14)9-10-16(2,3)4/h5-8H,1-4H3
InChIKeyMMUNNGUGQXEUBR-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.61
Rot. Bonds1

About trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane

trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane (PubChem CID 5075769) has the molecular formula C12H16O2SSi and a molecular weight of 252.41 g/mol. Its IUPAC name is trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane
PubChem CID5075769
Molecular FormulaC12H16O2SSi
Molecular Weight252.41 g/mol
Exact Mass252.06
IUPAC Nametrimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane
SMILESCc1ccc(S(=O)(=O)C#C[Si](C)(C)C)cc1
InChIInChI=1S/C12H16O2SSi/c1-11-5-7-12(8-6-11)15(13,14)9-10-16(2,3)4/h5-8H,1-4H3
InChIKeyMMUNNGUGQXEUBR-UHFFFAOYSA-N
XLogP2.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane?
The IUPAC name of trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane (CID 5075769) is trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane.
What is the SMILES notation for trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane?
The canonical SMILES for trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane is Cc1ccc(S(=O)(=O)C#C[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane?
The InChIKey is MMUNNGUGQXEUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2SSi/c1-11-5-7-12(8-6-11)15(13,14)9-10-16(2,3)4/h5-8H,1-4H3.
What are the key properties of trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane?
trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane has a molecular weight of 252.41 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-methylphenyl)sulfonylethynyl]silane is sourced from PubChem (CID 5075769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).