2-ethyl-4-methylthiophene

C7H10S — CID 528250

IUPAC2-ethyl-4-methylthiophene
SMILESCCc1cc(C)cs1
InChIInChI=1S/C7H10S/c1-3-7-4-6(2)5-8-7/h4-5H,3H2,1-2H3
InChIKeyNZOYEHPXDWJOCD-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.62
Rot. Bonds1

About 2-ethyl-4-methylthiophene

2-ethyl-4-methylthiophene (PubChem CID 528250) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 2-ethyl-4-methylthiophene.

Molecular Properties

Compound Name2-ethyl-4-methylthiophene
PubChem CID528250
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name2-ethyl-4-methylthiophene
SMILESCCc1cc(C)cs1
InChIInChI=1S/C7H10S/c1-3-7-4-6(2)5-8-7/h4-5H,3H2,1-2H3
InChIKeyNZOYEHPXDWJOCD-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 2-ethyl-4-methylthiophene?
The IUPAC name of 2-ethyl-4-methylthiophene (CID 528250) is 2-ethyl-4-methylthiophene.
What is the SMILES notation for 2-ethyl-4-methylthiophene?
The canonical SMILES for 2-ethyl-4-methylthiophene is CCc1cc(C)cs1.
What is the InChIKey of 2-ethyl-4-methylthiophene?
The InChIKey is NZOYEHPXDWJOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-3-7-4-6(2)5-8-7/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methylthiophene?
2-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 2-ethyl-4-methylthiophene is sourced from PubChem (CID 528250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).