2-methyl-1-thiophen-3-ylpropan-1-one

C8H10OS — CID 14814632

IUPAC2-methyl-1-thiophen-3-ylpropan-1-one
SMILESCC(C)C(=O)c1ccsc1
InChIInChI=1S/C8H10OS/c1-6(2)8(9)7-3-4-10-5-7/h3-6H,1-2H3
InChIKeyRHKUMRZTWIUUSX-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.59
Rot. Bonds2

About 2-methyl-1-thiophen-3-ylpropan-1-one

2-methyl-1-thiophen-3-ylpropan-1-one (PubChem CID 14814632) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-methyl-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-thiophen-3-ylpropan-1-one
PubChem CID14814632
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name2-methyl-1-thiophen-3-ylpropan-1-one
SMILESCC(C)C(=O)c1ccsc1
InChIInChI=1S/C8H10OS/c1-6(2)8(9)7-3-4-10-5-7/h3-6H,1-2H3
InChIKeyRHKUMRZTWIUUSX-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

Analyze 2-methyl-1-thiophen-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 2-methyl-1-thiophen-3-ylpropan-1-one (CID 14814632) is 2-methyl-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-thiophen-3-ylpropan-1-one is CC(C)C(=O)c1ccsc1.
What is the InChIKey of 2-methyl-1-thiophen-3-ylpropan-1-one?
The InChIKey is RHKUMRZTWIUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-6(2)8(9)7-3-4-10-5-7/h3-6H,1-2H3.
What are the key properties of 2-methyl-1-thiophen-3-ylpropan-1-one?
2-methyl-1-thiophen-3-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-3-ylpropan-1-one is sourced from PubChem (CID 14814632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).