4-ethyl-2-methylthiophene

C7H10S — CID 518801

IUPAC4-ethyl-2-methylthiophene
SMILESCCc1csc(C)c1
InChIInChI=1S/C7H10S/c1-3-7-4-6(2)8-5-7/h4-5H,3H2,1-2H3
InChIKeyKIWVMUQUYOKTKU-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.62
Rot. Bonds1

About 4-ethyl-2-methylthiophene

4-ethyl-2-methylthiophene (PubChem CID 518801) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 4-ethyl-2-methylthiophene.

Molecular Properties

Compound Name4-ethyl-2-methylthiophene
PubChem CID518801
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name4-ethyl-2-methylthiophene
SMILESCCc1csc(C)c1
InChIInChI=1S/C7H10S/c1-3-7-4-6(2)8-5-7/h4-5H,3H2,1-2H3
InChIKeyKIWVMUQUYOKTKU-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 4-ethyl-2-methylthiophene?
The IUPAC name of 4-ethyl-2-methylthiophene (CID 518801) is 4-ethyl-2-methylthiophene.
What is the SMILES notation for 4-ethyl-2-methylthiophene?
The canonical SMILES for 4-ethyl-2-methylthiophene is CCc1csc(C)c1.
What is the InChIKey of 4-ethyl-2-methylthiophene?
The InChIKey is KIWVMUQUYOKTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-3-7-4-6(2)8-5-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-methylthiophene?
4-ethyl-2-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 4-ethyl-2-methylthiophene is sourced from PubChem (CID 518801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).