1-(2,5-dimethylthiophen-3-yl)ethanone

C8H10OS — CID 520191

IUPAC1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCC(=O)c1cc(C)sc1C
InChIInChI=1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
InChIKeyPUSJAEJRDNPYKM-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.57
Rot. Bonds1

About 1-(2,5-dimethylthiophen-3-yl)ethanone

1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 520191) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID520191
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCC(=O)c1cc(C)sc1C
InChIInChI=1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
InChIKeyPUSJAEJRDNPYKM-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)ethanone (CID 520191) is 1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)ethanone is CC(=O)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is PUSJAEJRDNPYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)ethanone?
1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 154.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 520191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).