2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene

C11H12Br2O3S2 — CID 58309363

IUPAC2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene
SMILESCOCCOCCOc1c(Br)sc2cc(Br)sc12
InChIInChI=1S/C11H12Br2O3S2/c1-14-2-3-15-4-5-16-9-10-7(17-11(9)13)6-8(12)18-10/h6H,2-5H2,1H3
InChIKeyRZFCKTPSCAEMBI-UHFFFAOYSA-N
MW416.16 g/mol
LogP4.53
Rot. Bonds7

About 2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene

2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene (PubChem CID 58309363) has the molecular formula C11H12Br2O3S2 and a molecular weight of 416.16 g/mol. Its IUPAC name is 2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene
PubChem CID58309363
Molecular FormulaC11H12Br2O3S2
Molecular Weight416.16 g/mol
Exact Mass413.86
IUPAC Name2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene
SMILESCOCCOCCOc1c(Br)sc2cc(Br)sc12
InChIInChI=1S/C11H12Br2O3S2/c1-14-2-3-15-4-5-16-9-10-7(17-11(9)13)6-8(12)18-10/h6H,2-5H2,1H3
InChIKeyRZFCKTPSCAEMBI-UHFFFAOYSA-N
XLogP4.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.16
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene?
The IUPAC name of 2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene (CID 58309363) is 2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene.
What is the SMILES notation for 2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene?
The canonical SMILES for 2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene is COCCOCCOc1c(Br)sc2cc(Br)sc12.
What is the InChIKey of 2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene?
The InChIKey is RZFCKTPSCAEMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O3S2/c1-14-2-3-15-4-5-16-9-10-7(17-11(9)13)6-8(12)18-10/h6H,2-5H2,1H3.
What are the key properties of 2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene?
2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene has a molecular weight of 416.16 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-6-[2-(2-methoxyethoxy)ethoxy]thieno[3,2-b]thiophene is sourced from PubChem (CID 58309363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).