3,4-dimethoxythiophene

C6H8O2S — CID 3613501

IUPAC3,4-dimethoxythiophene
SMILESCOc1cscc1OC
InChIInChI=1S/C6H8O2S/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3
InChIKeyZUDCKLVMBAXBIF-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.77
Rot. Bonds2

About 3,4-dimethoxythiophene

3,4-dimethoxythiophene (PubChem CID 3613501) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 3,4-dimethoxythiophene.

Molecular Properties

Compound Name3,4-dimethoxythiophene
PubChem CID3613501
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name3,4-dimethoxythiophene
SMILESCOc1cscc1OC
InChIInChI=1S/C6H8O2S/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3
InChIKeyZUDCKLVMBAXBIF-UHFFFAOYSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxythiophene?
The IUPAC name of 3,4-dimethoxythiophene (CID 3613501) is 3,4-dimethoxythiophene.
What is the SMILES notation for 3,4-dimethoxythiophene?
The canonical SMILES for 3,4-dimethoxythiophene is COc1cscc1OC.
What is the InChIKey of 3,4-dimethoxythiophene?
The InChIKey is ZUDCKLVMBAXBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3.
What are the key properties of 3,4-dimethoxythiophene?
3,4-dimethoxythiophene has a molecular weight of 144.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxythiophene is sourced from PubChem (CID 3613501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).