2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid

C17H15BrO4S2Si — CID 141392490

IUPAC2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid
SMILESC[Si](C)(C)c1cc2sc(-c3cc(C(=O)O)c(Br)cc3C(=O)O)cc2s1
InChIInChI=1S/C17H15BrO4S2Si/c1-25(2,3)15-7-14-13(24-15)6-12(23-14)8-4-10(17(21)22)11(18)5-9(8)16(19)20/h4-7H,1-3H3,(H,19,20)(H,21,22)
InChIKeyUTYBBEMVBAKLSE-UHFFFAOYSA-N
MW455.43 g/mol
LogP5.33
Rot. Bonds4

About 2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid

2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid (PubChem CID 141392490) has the molecular formula C17H15BrO4S2Si and a molecular weight of 455.43 g/mol. Its IUPAC name is 2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid.

Molecular Properties

Compound Name2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid
PubChem CID141392490
Molecular FormulaC17H15BrO4S2Si
Molecular Weight455.43 g/mol
Exact Mass453.94
IUPAC Name2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid
SMILESC[Si](C)(C)c1cc2sc(-c3cc(C(=O)O)c(Br)cc3C(=O)O)cc2s1
InChIInChI=1S/C17H15BrO4S2Si/c1-25(2,3)15-7-14-13(24-15)6-12(23-14)8-4-10(17(21)22)11(18)5-9(8)16(19)20/h4-7H,1-3H3,(H,19,20)(H,21,22)
InChIKeyUTYBBEMVBAKLSE-UHFFFAOYSA-N
XLogP5.33
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.43
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid?
The IUPAC name of 2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid (CID 141392490) is 2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid.
What is the SMILES notation for 2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid?
The canonical SMILES for 2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid is C[Si](C)(C)c1cc2sc(-c3cc(C(=O)O)c(Br)cc3C(=O)O)cc2s1.
What is the InChIKey of 2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid?
The InChIKey is UTYBBEMVBAKLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO4S2Si/c1-25(2,3)15-7-14-13(24-15)6-12(23-14)8-4-10(17(21)22)11(18)5-9(8)16(19)20/h4-7H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid?
2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid has a molecular weight of 455.43 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)terephthalic acid is sourced from PubChem (CID 141392490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).