3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene

C12H14O3S2 — CID 11108420

IUPAC3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene
SMILESc1cc(OCCOCCOc2ccsc2)cs1
InChIInChI=1S/C12H14O3S2/c1-7-16-9-11(1)14-5-3-13-4-6-15-12-2-8-17-10-12/h1-2,7-10H,3-6H2
InChIKeyOKGBHTFVPIRYDO-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.28
Rot. Bonds8

About 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene

3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene (PubChem CID 11108420) has the molecular formula C12H14O3S2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene.

Molecular Properties

Compound Name3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene
PubChem CID11108420
Molecular FormulaC12H14O3S2
Molecular Weight270.37 g/mol
Exact Mass270.04
IUPAC Name3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene
SMILESc1cc(OCCOCCOc2ccsc2)cs1
InChIInChI=1S/C12H14O3S2/c1-7-16-9-11(1)14-5-3-13-4-6-15-12-2-8-17-10-12/h1-2,7-10H,3-6H2
InChIKeyOKGBHTFVPIRYDO-UHFFFAOYSA-N
XLogP3.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.28
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 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene?
The IUPAC name of 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene (CID 11108420) is 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene.
What is the SMILES notation for 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene?
The canonical SMILES for 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene is c1cc(OCCOCCOc2ccsc2)cs1.
What is the InChIKey of 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene?
The InChIKey is OKGBHTFVPIRYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3S2/c1-7-16-9-11(1)14-5-3-13-4-6-15-12-2-8-17-10-12/h1-2,7-10H,3-6H2.
What are the key properties of 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene?
3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene has a molecular weight of 270.37 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene is sourced from PubChem (CID 11108420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).