2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane

C9H11BrSSi — CID 15339452

IUPAC2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1sccc1Br
InChIInChI=1S/C9H11BrSSi/c1-12(2,3)7-5-9-8(10)4-6-11-9/h4,6H,1-3H3
InChIKeyQFSLEVDZSHZODL-UHFFFAOYSA-N
MW259.24 g/mol
LogP3.74
Rot. Bonds

About 2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane

2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane (PubChem CID 15339452) has the molecular formula C9H11BrSSi and a molecular weight of 259.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane
PubChem CID15339452
Molecular FormulaC9H11BrSSi
Molecular Weight259.24 g/mol
Exact Mass257.95
IUPAC Name2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1sccc1Br
InChIInChI=1S/C9H11BrSSi/c1-12(2,3)7-5-9-8(10)4-6-11-9/h4,6H,1-3H3
InChIKeyQFSLEVDZSHZODL-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane (CID 15339452) is 2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane?
The InChIKey is QFSLEVDZSHZODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrSSi/c1-12(2,3)7-5-9-8(10)4-6-11-9/h4,6H,1-3H3.
What are the key properties of 2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane?
2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane has a molecular weight of 259.24 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 15339452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).