3-ethoxy-4-methylthiophene

C7H10OS — CID 19099077

IUPAC3-ethoxy-4-methylthiophene
SMILESCCOc1cscc1C
InChIInChI=1S/C7H10OS/c1-3-8-7-5-9-4-6(7)2/h4-5H,3H2,1-2H3
InChIKeyZFQVXRBCYGOGAA-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.46
Rot. Bonds2

About 3-ethoxy-4-methylthiophene

3-ethoxy-4-methylthiophene (PubChem CID 19099077) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 3-ethoxy-4-methylthiophene.

Molecular Properties

Compound Name3-ethoxy-4-methylthiophene
PubChem CID19099077
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name3-ethoxy-4-methylthiophene
SMILESCCOc1cscc1C
InChIInChI=1S/C7H10OS/c1-3-8-7-5-9-4-6(7)2/h4-5H,3H2,1-2H3
InChIKeyZFQVXRBCYGOGAA-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methylthiophene?
The IUPAC name of 3-ethoxy-4-methylthiophene (CID 19099077) is 3-ethoxy-4-methylthiophene.
What is the SMILES notation for 3-ethoxy-4-methylthiophene?
The canonical SMILES for 3-ethoxy-4-methylthiophene is CCOc1cscc1C.
What is the InChIKey of 3-ethoxy-4-methylthiophene?
The InChIKey is ZFQVXRBCYGOGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-3-8-7-5-9-4-6(7)2/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethoxy-4-methylthiophene?
3-ethoxy-4-methylthiophene has a molecular weight of 142.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methylthiophene is sourced from PubChem (CID 19099077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).