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

C8H10OS — CID 2775365

IUPAC1-(3,5-dimethylthiophen-2-yl)ethanone
SMILESCC(=O)c1sc(C)cc1C
InChIInChI=1S/C8H10OS/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
InChIKeyFMKRVVWJCNTZMK-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.57
Rot. Bonds1

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

1-(3,5-dimethylthiophen-2-yl)ethanone (PubChem CID 2775365) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)ethanone
PubChem CID2775365
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name1-(3,5-dimethylthiophen-2-yl)ethanone
SMILESCC(=O)c1sc(C)cc1C
InChIInChI=1S/C8H10OS/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
InChIKeyFMKRVVWJCNTZMK-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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Related Compounds

2-Propionylthiophene
CID 26179
2-Acetyl-5-methylthiophene
CID 83655
3-Methyl-2-acetylthiophene
CID 83653
3-Acetyl-2,5-dimethylthiophene
CID 520191
2-Butanoylthiophene
CID 79248
2-Pentanoylthiophene
CID 574100
1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
2-Benzoylthiophene
CID 67262
3-Phenyl-1-(thien-2-yl)prop-2-en-1-one
CID 19891
(2E)-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-one
CID 5702653
4,5,6,7-Tetrahydro-4-oxothionaphthene
CID 83418
2-Chloro-1-(2,5-dimethylthiophen-3-yl)ethan-1-one
CID 678545

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)ethanone?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)ethanone (CID 2775365) is 1-(3,5-dimethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)ethanone is CC(=O)c1sc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)ethanone?
The InChIKey is FMKRVVWJCNTZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)ethanone?
1-(3,5-dimethylthiophen-2-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-(3,5-dimethylthiophen-2-yl)ethanone is sourced from PubChem (CID 2775365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).