1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone

C12H12O2S2 — CID 15414606

IUPAC1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone
SMILESCC(=O)c1sc2sc(C(C)=O)c(C)c2c1C
InChIInChI=1S/C12H12O2S2/c1-5-9-6(2)11(8(4)14)16-12(9)15-10(5)7(3)13/h1-4H3
InChIKeyLPECMUDCPWQIBP-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.98
Rot. Bonds2

About 1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone

1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone (PubChem CID 15414606) has the molecular formula C12H12O2S2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone
PubChem CID15414606
Molecular FormulaC12H12O2S2
Molecular Weight252.36 g/mol
Exact Mass252.03
IUPAC Name1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone
SMILESCC(=O)c1sc2sc(C(C)=O)c(C)c2c1C
InChIInChI=1S/C12H12O2S2/c1-5-9-6(2)11(8(4)14)16-12(9)15-10(5)7(3)13/h1-4H3
InChIKeyLPECMUDCPWQIBP-UHFFFAOYSA-N
XLogP3.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone?
The IUPAC name of 1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone (CID 15414606) is 1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone is CC(=O)c1sc2sc(C(C)=O)c(C)c2c1C.
What is the InChIKey of 1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone?
The InChIKey is LPECMUDCPWQIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S2/c1-5-9-6(2)11(8(4)14)16-12(9)15-10(5)7(3)13/h1-4H3.
What are the key properties of 1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone?
1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone has a molecular weight of 252.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)ethanone is sourced from PubChem (CID 15414606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).