1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one

C13H16OS2 — CID 169026571

IUPAC1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one
SMILESCc1csc2sc(C(=O)C(C)(C)C)c(C)c12
InChIInChI=1S/C13H16OS2/c1-7-6-15-12-9(7)8(2)10(16-12)11(14)13(3,4)5/h6H,1-5H3
InChIKeyNGDBJCZIRKACLJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.81
Rot. Bonds1

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

1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 169026571) has the molecular formula C13H16OS2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one
PubChem CID169026571
Molecular FormulaC13H16OS2
Molecular Weight252.40 g/mol
Exact Mass252.06
IUPAC Name1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one
SMILESCc1csc2sc(C(=O)C(C)(C)C)c(C)c12
InChIInChI=1S/C13H16OS2/c1-7-6-15-12-9(7)8(2)10(16-12)11(14)13(3,4)5/h6H,1-5H3
InChIKeyNGDBJCZIRKACLJ-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one (CID 169026571) is 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one is Cc1csc2sc(C(=O)C(C)(C)C)c(C)c12.
What is the InChIKey of 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is NGDBJCZIRKACLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS2/c1-7-6-15-12-9(7)8(2)10(16-12)11(14)13(3,4)5/h6H,1-5H3.
What are the key properties of 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one?
1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 252.40 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 169026571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).