diphenyl(2-trimethylsilylethynyl)sulfanium

C17H19SSi+ — CID 101247630

IUPACdiphenyl(2-trimethylsilylethynyl)sulfanium
SMILESC[Si](C)(C)C#C[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19SSi/c1-19(2,3)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,1-3H3/q+1
InChIKeyXDERXKGZHITOLG-UHFFFAOYSA-N
MW283.49 g/mol
LogP4.56
Rot. Bonds2

About diphenyl(2-trimethylsilylethynyl)sulfanium

diphenyl(2-trimethylsilylethynyl)sulfanium (PubChem CID 101247630) has the molecular formula C17H19SSi+ and a molecular weight of 283.49 g/mol. Its IUPAC name is diphenyl(2-trimethylsilylethynyl)sulfanium.

Molecular Properties

Compound Namediphenyl(2-trimethylsilylethynyl)sulfanium
PubChem CID101247630
Molecular FormulaC17H19SSi+
Molecular Weight283.49 g/mol
Exact Mass283.10
IUPAC Namediphenyl(2-trimethylsilylethynyl)sulfanium
SMILESC[Si](C)(C)C#C[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19SSi/c1-19(2,3)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,1-3H3/q+1
InChIKeyXDERXKGZHITOLG-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylbut-1-ynyl(diphenyl)sulfanium
CID 10893590
trimethyl-(3-methyl-3-phenylbut-1-ynyl)silane
CID 68608831
trimethyl(4-phenylselanylbut-1-ynyl)silane
CID 102373937
benzene;tris(trimethyl-[2-[methyl-[2-[methyl-bis[2-[methyl-bis(2-trimethylsilylethynyl)silyl]ethynyl]silyl]ethynyl]-(2-trimethylsilylethynyl)silyl]ethynyl]silane)
CID 139183794
CID 119079943
CID 119079943
trimethyl-[3-(2-phenylpropan-2-yloxy)prop-1-ynyl]silane
CID 134889522
trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane
CID 11079621
trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane
CID 15649748
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone
CID 101009068
trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane
CID 102311843
[4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium
CID 170676099

Frequently Asked Questions

What is the IUPAC name of diphenyl(2-trimethylsilylethynyl)sulfanium?
The IUPAC name of diphenyl(2-trimethylsilylethynyl)sulfanium (CID 101247630) is diphenyl(2-trimethylsilylethynyl)sulfanium.
What is the SMILES notation for diphenyl(2-trimethylsilylethynyl)sulfanium?
The canonical SMILES for diphenyl(2-trimethylsilylethynyl)sulfanium is C[Si](C)(C)C#C[S+](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl(2-trimethylsilylethynyl)sulfanium?
The InChIKey is XDERXKGZHITOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19SSi/c1-19(2,3)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,1-3H3/q+1.
What are the key properties of diphenyl(2-trimethylsilylethynyl)sulfanium?
diphenyl(2-trimethylsilylethynyl)sulfanium has a molecular weight of 283.49 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(2-trimethylsilylethynyl)sulfanium is sourced from PubChem (CID 101247630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).