(4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane

C15H14O2S4Si — CID 135070375

IUPAC(4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane
SMILESC[Si](C)(C)C1=Cc2sc(-c3cc4sccc4s3)cc2S1(=O)=O
InChIInChI=1S/C15H14O2S4Si/c1-22(2,3)15-8-13-14(21(15,16)17)7-12(20-13)11-6-10-9(19-11)4-5-18-10/h4-8H,1-3H3
InChIKeyKVCXEZUHQXBZJC-UHFFFAOYSA-N
MW382.63 g/mol
LogP5.70
Rot. Bonds2

About (4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane

(4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane (PubChem CID 135070375) has the molecular formula C15H14O2S4Si and a molecular weight of 382.63 g/mol. Its IUPAC name is (4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane.

Molecular Properties

Compound Name(4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane
PubChem CID135070375
Molecular FormulaC15H14O2S4Si
Molecular Weight382.63 g/mol
Exact Mass381.96
IUPAC Name(4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane
SMILESC[Si](C)(C)C1=Cc2sc(-c3cc4sccc4s3)cc2S1(=O)=O
InChIInChI=1S/C15H14O2S4Si/c1-22(2,3)15-8-13-14(21(15,16)17)7-12(20-13)11-6-10-9(19-11)4-5-18-10/h4-8H,1-3H3
InChIKeyKVCXEZUHQXBZJC-UHFFFAOYSA-N
XLogP5.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane?
The IUPAC name of (4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane (CID 135070375) is (4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane.
What is the SMILES notation for (4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane?
The canonical SMILES for (4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane is C[Si](C)(C)C1=Cc2sc(-c3cc4sccc4s3)cc2S1(=O)=O.
What is the InChIKey of (4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane?
The InChIKey is KVCXEZUHQXBZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S4Si/c1-22(2,3)15-8-13-14(21(15,16)17)7-12(20-13)11-6-10-9(19-11)4-5-18-10/h4-8H,1-3H3.
What are the key properties of (4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane?
(4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane has a molecular weight of 382.63 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dioxo-2-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-5-yl)-trimethylsilane is sourced from PubChem (CID 135070375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).