3-ethyl-4-methylthiophene

C7H10S — CID 522215

IUPAC3-ethyl-4-methylthiophene
SMILESCCc1cscc1C
InChIInChI=1S/C7H10S/c1-3-7-5-8-4-6(7)2/h4-5H,3H2,1-2H3
InChIKeyQMHNYDJBWOPGHE-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.62
Rot. Bonds1

About 3-ethyl-4-methylthiophene

3-ethyl-4-methylthiophene (PubChem CID 522215) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 3-ethyl-4-methylthiophene.

Molecular Properties

Compound Name3-ethyl-4-methylthiophene
PubChem CID522215
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name3-ethyl-4-methylthiophene
SMILESCCc1cscc1C
InChIInChI=1S/C7H10S/c1-3-7-5-8-4-6(7)2/h4-5H,3H2,1-2H3
InChIKeyQMHNYDJBWOPGHE-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylthiophene?
The IUPAC name of 3-ethyl-4-methylthiophene (CID 522215) is 3-ethyl-4-methylthiophene.
What is the SMILES notation for 3-ethyl-4-methylthiophene?
The canonical SMILES for 3-ethyl-4-methylthiophene is CCc1cscc1C.
What is the InChIKey of 3-ethyl-4-methylthiophene?
The InChIKey is QMHNYDJBWOPGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-3-7-5-8-4-6(7)2/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-methylthiophene?
3-ethyl-4-methylthiophene has a molecular weight of 126.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylthiophene is sourced from PubChem (CID 522215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).