1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one

C10H10OS2 — CID 12522080

IUPAC1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one
SMILESCC(=O)Cc1csc2sc(C)cc12
InChIInChI=1S/C10H10OS2/c1-6(11)3-8-5-12-10-9(8)4-7(2)13-10/h4-5H,3H2,1-2H3
InChIKeyYINDYZAACWUFOL-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.40
Rot. Bonds2

About 1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one

1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one (PubChem CID 12522080) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one
PubChem CID12522080
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Name1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one
SMILESCC(=O)Cc1csc2sc(C)cc12
InChIInChI=1S/C10H10OS2/c1-6(11)3-8-5-12-10-9(8)4-7(2)13-10/h4-5H,3H2,1-2H3
InChIKeyYINDYZAACWUFOL-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one?
The IUPAC name of 1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one (CID 12522080) is 1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one.
What is the SMILES notation for 1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one?
The canonical SMILES for 1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one is CC(=O)Cc1csc2sc(C)cc12.
What is the InChIKey of 1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one?
The InChIKey is YINDYZAACWUFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c1-6(11)3-8-5-12-10-9(8)4-7(2)13-10/h4-5H,3H2,1-2H3.
What are the key properties of 1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one?
1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthieno[2,3-b]thiophen-3-yl)propan-2-one is sourced from PubChem (CID 12522080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).