About [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane
[3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane (PubChem CID 132600794) has the molecular formula C20H36Br2S4Si4
and a molecular weight of 676.93 g/mol. Its IUPAC name is [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane.
Molecular Properties
| Compound Name | [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane |
|---|
| PubChem CID | 132600794 |
|---|
| Molecular Formula | C20H36Br2S4Si4 |
|---|
| Molecular Weight | 676.93 g/mol |
|---|
| Exact Mass | 673.91 |
|---|
| IUPAC Name | [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane |
|---|
| SMILES | C[Si](C)(C)c1sc([Si](C)(C)C)c(SSc2c([Si](C)(C)C)sc([Si](C)(C)C)c2Br)c1Br |
|---|
| InChI | InChI=1S/C20H36Br2S4Si4/c1-27(2,3)17-13(21)15(19(23-17)29(7,8)9)25-26-16-14(22)18(28(4,5)6)24-20(16)30(10,11)12/h1-12H3 |
|---|
| InChIKey | RLRFMVACRJBVMZ-UHFFFAOYSA-N |
|---|
| XLogP | 8.31 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 30 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 676.93 |
| LogP ≤ 5 | 8.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane?
The IUPAC name of [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane (CID 132600794) is [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane.
What is the SMILES notation for [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane?
The canonical SMILES for [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane is C[Si](C)(C)c1sc([Si](C)(C)C)c(SSc2c([Si](C)(C)C)sc([Si](C)(C)C)c2Br)c1Br.
What is the InChIKey of [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane?
The InChIKey is RLRFMVACRJBVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36Br2S4Si4/c1-27(2,3)17-13(21)15(19(23-17)29(7,8)9)25-26-16-14(22)18(28(4,5)6)24-20(16)30(10,11)12/h1-12H3.
What are the key properties of [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane?
[3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane has a molecular weight of 676.93 g/mol, XLogP of 8.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[[4-bromo-2,5-bis(trimethylsilyl)thiophen-3-yl]disulfanyl]-5-trimethylsilylthiophen-2-yl]-trimethylsilane is sourced from PubChem (CID 132600794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).