thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

C16H10N2O2S3 — CID 174225728

IUPACthieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2cc(-c3cccs3)[nH]c2C1=O.c1cc2sccc2s1
InChIInChI=1S/C10H6N2O2S.C6H4S2/c13-9-8-6(12-10(9)14)4-5(11-8)7-2-1-3-15-7;1-3-7-6-2-4-8-5(1)6/h1-4,11H,(H,12,13,14);1-4H
InChIKeyGLMSIFUQTRVMOF-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.84
Rot. Bonds1

About thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (PubChem CID 174225728) has the molecular formula C16H10N2O2S3 and a molecular weight of 358.47 g/mol. Its IUPAC name is thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.

Molecular Properties

Compound Namethieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
PubChem CID174225728
Molecular FormulaC16H10N2O2S3
Molecular Weight358.47 g/mol
Exact Mass357.99
IUPAC Namethieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2cc(-c3cccs3)[nH]c2C1=O.c1cc2sccc2s1
InChIInChI=1S/C10H6N2O2S.C6H4S2/c13-9-8-6(12-10(9)14)4-5(11-8)7-2-1-3-15-7;1-3-7-6-2-4-8-5(1)6/h1-4,11H,(H,12,13,14);1-4H
InChIKeyGLMSIFUQTRVMOF-UHFFFAOYSA-N
XLogP4.84
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 175553313
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CID 174770480
5-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one
CID 175436255
bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene
CID 158279333
1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene
CID 175487267
3-methyl-2,5-dithiophen-2-yl-1H-pyrrole
CID 53445362
2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 175097917
4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 121206455
(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine
CID 54273607
2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174763729
2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174918402
4,7-difluoro-2-thiophen-2-yl-1H-indole
CID 131867723

Frequently Asked Questions

What is the IUPAC name of thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The IUPAC name of thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (CID 174225728) is thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.
What is the SMILES notation for thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The canonical SMILES for thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is O=C1Nc2cc(-c3cccs3)[nH]c2C1=O.c1cc2sccc2s1.
What is the InChIKey of thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The InChIKey is GLMSIFUQTRVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2S.C6H4S2/c13-9-8-6(12-10(9)14)4-5(11-8)7-2-1-3-15-7;1-3-7-6-2-4-8-5(1)6/h1-4,11H,(H,12,13,14);1-4H.
What are the key properties of thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione has a molecular weight of 358.47 g/mol, XLogP of 4.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is sourced from PubChem (CID 174225728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).