3,4-dipropoxythiophene

C10H16O2S — CID 11401397

IUPAC3,4-dipropoxythiophene
SMILESCCCOc1cscc1OCCC
InChIInChI=1S/C10H16O2S/c1-3-5-11-9-7-13-8-10(9)12-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyLKYDJXOAZWBJIM-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.33
Rot. Bonds6

About 3,4-dipropoxythiophene

3,4-dipropoxythiophene (PubChem CID 11401397) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 3,4-dipropoxythiophene.

Molecular Properties

Compound Name3,4-dipropoxythiophene
PubChem CID11401397
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name3,4-dipropoxythiophene
SMILESCCCOc1cscc1OCCC
InChIInChI=1S/C10H16O2S/c1-3-5-11-9-7-13-8-10(9)12-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyLKYDJXOAZWBJIM-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dipropoxythiophene?
The IUPAC name of 3,4-dipropoxythiophene (CID 11401397) is 3,4-dipropoxythiophene.
What is the SMILES notation for 3,4-dipropoxythiophene?
The canonical SMILES for 3,4-dipropoxythiophene is CCCOc1cscc1OCCC.
What is the InChIKey of 3,4-dipropoxythiophene?
The InChIKey is LKYDJXOAZWBJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-3-5-11-9-7-13-8-10(9)12-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3,4-dipropoxythiophene?
3,4-dipropoxythiophene has a molecular weight of 200.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipropoxythiophene is sourced from PubChem (CID 11401397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).