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

C10H10O2S2 — CID 115782915

IUPAC2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESCCOCC(=O)c1cc2sccc2s1
InChIInChI=1S/C10H10O2S2/c1-2-12-6-7(11)9-5-10-8(14-9)3-4-13-10/h3-5H,2,6H2,1H3
InChIKeyNWQGXBMEHJYDCK-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.18
Rot. Bonds4

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

2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone (PubChem CID 115782915) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone.

Molecular Properties

Compound Name2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
PubChem CID115782915
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESCCOCC(=O)c1cc2sccc2s1
InChIInChI=1S/C10H10O2S2/c1-2-12-6-7(11)9-5-10-8(14-9)3-4-13-10/h3-5H,2,6H2,1H3
InChIKeyNWQGXBMEHJYDCK-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-2-yl)-2-ethoxyethanone
CID 115783077
2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80738942
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
2-methyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-one
CID 115787961
ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78916963
2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745092
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745674
1-(5-bromo-4-methylthiophen-2-yl)-2-ethoxyethanone
CID 115782885
2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745581
ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78968119
2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114979871

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone?
The IUPAC name of 2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone (CID 115782915) is 2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone.
What is the SMILES notation for 2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone?
The canonical SMILES for 2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone is CCOCC(=O)c1cc2sccc2s1.
What is the InChIKey of 2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone?
The InChIKey is NWQGXBMEHJYDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-2-12-6-7(11)9-5-10-8(14-9)3-4-13-10/h3-5H,2,6H2,1H3.
What are the key properties of 2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone?
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone has a molecular weight of 226.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone is sourced from PubChem (CID 115782915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).