3,4-bis(ethenoxy)thiophene

C8H8O2S — CID 66687977

IUPAC3,4-bis(ethenoxy)thiophene
SMILESC=COc1cscc1OC=C
InChIInChI=1S/C8H8O2S/c1-3-9-7-5-11-6-8(7)10-4-2/h3-6H,1-2H2
InChIKeyFYQLFBWSHGTQLX-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.79
Rot. Bonds4

About 3,4-bis(ethenoxy)thiophene

3,4-bis(ethenoxy)thiophene (PubChem CID 66687977) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is 3,4-bis(ethenoxy)thiophene.

Molecular Properties

Compound Name3,4-bis(ethenoxy)thiophene
PubChem CID66687977
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name3,4-bis(ethenoxy)thiophene
SMILESC=COc1cscc1OC=C
InChIInChI=1S/C8H8O2S/c1-3-9-7-5-11-6-8(7)10-4-2/h3-6H,1-2H2
InChIKeyFYQLFBWSHGTQLX-UHFFFAOYSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenoxy)thiophene?
The IUPAC name of 3,4-bis(ethenoxy)thiophene (CID 66687977) is 3,4-bis(ethenoxy)thiophene.
What is the SMILES notation for 3,4-bis(ethenoxy)thiophene?
The canonical SMILES for 3,4-bis(ethenoxy)thiophene is C=COc1cscc1OC=C.
What is the InChIKey of 3,4-bis(ethenoxy)thiophene?
The InChIKey is FYQLFBWSHGTQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S/c1-3-9-7-5-11-6-8(7)10-4-2/h3-6H,1-2H2.
What are the key properties of 3,4-bis(ethenoxy)thiophene?
3,4-bis(ethenoxy)thiophene has a molecular weight of 168.22 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenoxy)thiophene is sourced from PubChem (CID 66687977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).