bis(thieno[2,3-b]thiophen-5-yl)methanone

C13H6OS4 — CID 70589799

IUPACbis(thieno[2,3-b]thiophen-5-yl)methanone
SMILESO=C(c1cc2ccsc2s1)c1cc2ccsc2s1
InChIInChI=1S/C13H6OS4/c14-11(9-5-7-1-3-15-12(7)17-9)10-6-8-2-4-16-13(8)18-10/h1-6H
InChIKeyOXRXYBWGXPYFQW-UHFFFAOYSA-N
MW306.46 g/mol
LogP5.47
Rot. Bonds2

About bis(thieno[2,3-b]thiophen-5-yl)methanone

bis(thieno[2,3-b]thiophen-5-yl)methanone (PubChem CID 70589799) has the molecular formula C13H6OS4 and a molecular weight of 306.46 g/mol. Its IUPAC name is bis(thieno[2,3-b]thiophen-5-yl)methanone.

Molecular Properties

Compound Namebis(thieno[2,3-b]thiophen-5-yl)methanone
PubChem CID70589799
Molecular FormulaC13H6OS4
Molecular Weight306.46 g/mol
Exact Mass305.93
IUPAC Namebis(thieno[2,3-b]thiophen-5-yl)methanone
SMILESO=C(c1cc2ccsc2s1)c1cc2ccsc2s1
InChIInChI=1S/C13H6OS4/c14-11(9-5-7-1-3-15-12(7)17-9)10-6-8-2-4-16-13(8)18-10/h1-6H
InChIKeyOXRXYBWGXPYFQW-UHFFFAOYSA-N
XLogP5.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-thieno[2,3-b]thiophen-5-ylethanone
CID 15698036
2-hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid
CID 90847279
N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride
CID 67152116
bis(1-benzothiophen-2-yl)methanone
CID 5330534
N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide
CID 11223352
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
5-thieno[2,3-b]thiophen-5-ylthieno[3,2-b]thiophene
CID 123978480
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
(2S)-2-(pyridin-3-ylsulfonylamino)-3-(thieno[2,3-b]thiophene-5-carbonylamino)propanoic acid
CID 10787776
[10-(thiophene-2-carbonyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-thiophen-2-ylmethanone
CID 102424318
2-acetylthieno[2,3-b]thiophene-5-carboxamide
CID 133056845
5-(3,3-dimethylbut-1-ynyl)thieno[2,3-b]thiophene
CID 609657

Frequently Asked Questions

What is the IUPAC name of bis(thieno[2,3-b]thiophen-5-yl)methanone?
The IUPAC name of bis(thieno[2,3-b]thiophen-5-yl)methanone (CID 70589799) is bis(thieno[2,3-b]thiophen-5-yl)methanone.
What is the SMILES notation for bis(thieno[2,3-b]thiophen-5-yl)methanone?
The canonical SMILES for bis(thieno[2,3-b]thiophen-5-yl)methanone is O=C(c1cc2ccsc2s1)c1cc2ccsc2s1.
What is the InChIKey of bis(thieno[2,3-b]thiophen-5-yl)methanone?
The InChIKey is OXRXYBWGXPYFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6OS4/c14-11(9-5-7-1-3-15-12(7)17-9)10-6-8-2-4-16-13(8)18-10/h1-6H.
What are the key properties of bis(thieno[2,3-b]thiophen-5-yl)methanone?
bis(thieno[2,3-b]thiophen-5-yl)methanone has a molecular weight of 306.46 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(thieno[2,3-b]thiophen-5-yl)methanone is sourced from PubChem (CID 70589799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).