2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane

C11H11BrS2Si — CID 86100822

IUPAC2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1sc2ccsc2c1Br
InChIInChI=1S/C11H11BrS2Si/c1-15(2,3)7-5-8-10(12)11-9(14-8)4-6-13-11/h4,6H,1-3H3
InChIKeyUYAJNUMGHZZMLT-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.95
Rot. Bonds

About 2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane

2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane (PubChem CID 86100822) has the molecular formula C11H11BrS2Si and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane
PubChem CID86100822
Molecular FormulaC11H11BrS2Si
Molecular Weight315.33 g/mol
Exact Mass313.93
IUPAC Name2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1sc2ccsc2c1Br
InChIInChI=1S/C11H11BrS2Si/c1-15(2,3)7-5-8-10(12)11-9(14-8)4-6-13-11/h4,6H,1-3H3
InChIKeyUYAJNUMGHZZMLT-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.95
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 2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane (CID 86100822) is 2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1sc2ccsc2c1Br.
What is the InChIKey of 2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane?
The InChIKey is UYAJNUMGHZZMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrS2Si/c1-15(2,3)7-5-8-10(12)11-9(14-8)4-6-13-11/h4,6H,1-3H3.
What are the key properties of 2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane?
2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane has a molecular weight of 315.33 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromothieno[3,2-b]thiophen-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 86100822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).