1-thieno[2,3-b]thiophen-5-ylethanone

C8H6OS2 — CID 15698036

IUPAC1-thieno[2,3-b]thiophen-5-ylethanone
SMILESCC(=O)c1cc2ccsc2s1
InChIInChI=1S/C8H6OS2/c1-5(9)7-4-6-2-3-10-8(6)11-7/h2-4H,1H3
InChIKeyGICOZXMGGYEODH-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.17
Rot. Bonds1

About 1-thieno[2,3-b]thiophen-5-ylethanone

1-thieno[2,3-b]thiophen-5-ylethanone (PubChem CID 15698036) has the molecular formula C8H6OS2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-thieno[2,3-b]thiophen-5-ylethanone.

Molecular Properties

Compound Name1-thieno[2,3-b]thiophen-5-ylethanone
PubChem CID15698036
Molecular FormulaC8H6OS2
Molecular Weight182.27 g/mol
Exact Mass181.99
IUPAC Name1-thieno[2,3-b]thiophen-5-ylethanone
SMILESCC(=O)c1cc2ccsc2s1
InChIInChI=1S/C8H6OS2/c1-5(9)7-4-6-2-3-10-8(6)11-7/h2-4H,1H3
InChIKeyGICOZXMGGYEODH-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(thieno[2,3-b]thiophen-5-yl)methanone
CID 70589799
2-hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid
CID 90847279
2-acetylthieno[2,3-b]thiophene-5-carboxamide
CID 133056845
1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone
CID 133059394
1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone
CID 89398312
1-(6-amino-1-benzothiophen-2-yl)ethanone
CID 82373112
1-(5-bromo-1-benzothiophen-2-yl)ethanone
CID 617837
N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride
CID 67152116
1-(7-amino-1-benzothiophen-2-yl)ethanone
CID 142819790
1-(5-ethyl-1-benzothiophen-2-yl)ethanone
CID 143033233
1-(2-aminothiophen-3-yl)ethanone
CID 19908024
5-(3,3-dimethylbut-1-ynyl)thieno[2,3-b]thiophene
CID 609657

Frequently Asked Questions

What is the IUPAC name of 1-thieno[2,3-b]thiophen-5-ylethanone?
The IUPAC name of 1-thieno[2,3-b]thiophen-5-ylethanone (CID 15698036) is 1-thieno[2,3-b]thiophen-5-ylethanone.
What is the SMILES notation for 1-thieno[2,3-b]thiophen-5-ylethanone?
The canonical SMILES for 1-thieno[2,3-b]thiophen-5-ylethanone is CC(=O)c1cc2ccsc2s1.
What is the InChIKey of 1-thieno[2,3-b]thiophen-5-ylethanone?
The InChIKey is GICOZXMGGYEODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS2/c1-5(9)7-4-6-2-3-10-8(6)11-7/h2-4H,1H3.
What are the key properties of 1-thieno[2,3-b]thiophen-5-ylethanone?
1-thieno[2,3-b]thiophen-5-ylethanone has a molecular weight of 182.27 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[2,3-b]thiophen-5-ylethanone is sourced from PubChem (CID 15698036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).