3,4-diethoxythiophene

C8H12O2S — CID 10997510

IUPAC3,4-diethoxythiophene
SMILESCCOc1cscc1OCC
InChIInChI=1S/C8H12O2S/c1-3-9-7-5-11-6-8(7)10-4-2/h5-6H,3-4H2,1-2H3
InChIKeyMFRXQRCKOQUENC-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.55
Rot. Bonds4

About 3,4-diethoxythiophene

3,4-diethoxythiophene (PubChem CID 10997510) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 3,4-diethoxythiophene.

Molecular Properties

Compound Name3,4-diethoxythiophene
PubChem CID10997510
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name3,4-diethoxythiophene
SMILESCCOc1cscc1OCC
InChIInChI=1S/C8H12O2S/c1-3-9-7-5-11-6-8(7)10-4-2/h5-6H,3-4H2,1-2H3
InChIKeyMFRXQRCKOQUENC-UHFFFAOYSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxythiophene?
The IUPAC name of 3,4-diethoxythiophene (CID 10997510) is 3,4-diethoxythiophene.
What is the SMILES notation for 3,4-diethoxythiophene?
The canonical SMILES for 3,4-diethoxythiophene is CCOc1cscc1OCC.
What is the InChIKey of 3,4-diethoxythiophene?
The InChIKey is MFRXQRCKOQUENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-3-9-7-5-11-6-8(7)10-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,4-diethoxythiophene?
3,4-diethoxythiophene has a molecular weight of 172.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxythiophene is sourced from PubChem (CID 10997510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).