2-methyl-1-thiophen-2-ylpropan-1-one

C8H10OS — CID 3862480

IUPAC2-methyl-1-thiophen-2-ylpropan-1-one
SMILESCC(C)C(=O)c1cccs1
InChIInChI=1S/C8H10OS/c1-6(2)8(9)7-4-3-5-10-7/h3-6H,1-2H3
InChIKeyOTQCCAKDOPROBT-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.59
Rot. Bonds2

About 2-methyl-1-thiophen-2-ylpropan-1-one

2-methyl-1-thiophen-2-ylpropan-1-one (PubChem CID 3862480) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-methyl-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-thiophen-2-ylpropan-1-one
PubChem CID3862480
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name2-methyl-1-thiophen-2-ylpropan-1-one
SMILESCC(C)C(=O)c1cccs1
InChIInChI=1S/C8H10OS/c1-6(2)8(9)7-4-3-5-10-7/h3-6H,1-2H3
InChIKeyOTQCCAKDOPROBT-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 2-methyl-1-thiophen-2-ylpropan-1-one (CID 3862480) is 2-methyl-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-thiophen-2-ylpropan-1-one is CC(C)C(=O)c1cccs1.
What is the InChIKey of 2-methyl-1-thiophen-2-ylpropan-1-one?
The InChIKey is OTQCCAKDOPROBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-6(2)8(9)7-4-3-5-10-7/h3-6H,1-2H3.
What are the key properties of 2-methyl-1-thiophen-2-ylpropan-1-one?
2-methyl-1-thiophen-2-ylpropan-1-one has a molecular weight of 154.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 3862480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).