bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene

C22H14N2O4S2 — CID 158279333

IUPACbis(1H-indole-2,3-dione);thieno[3,2-b]thiophene
SMILESO=C1Nc2ccccc2C1=O.O=C1Nc2ccccc2C1=O.c1cc2sccc2s1
InChIInChI=1S/2C8H5NO2.C6H4S2/c2*10-7-5-3-1-2-4-6(5)9-8(7)11;1-3-7-6-2-4-8-5(1)6/h2*1-4H,(H,9,10,11);1-4H
InChIKeyGKABLARXKMQOTJ-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.61
Rot. Bonds

About bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene

bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene (PubChem CID 158279333) has the molecular formula C22H14N2O4S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene.

Molecular Properties

Compound Namebis(1H-indole-2,3-dione);thieno[3,2-b]thiophene
PubChem CID158279333
Molecular FormulaC22H14N2O4S2
Molecular Weight434.50 g/mol
Exact Mass434.04
IUPAC Namebis(1H-indole-2,3-dione);thieno[3,2-b]thiophene
SMILESO=C1Nc2ccccc2C1=O.O=C1Nc2ccccc2C1=O.c1cc2sccc2s1
InChIInChI=1S/2C8H5NO2.C6H4S2/c2*10-7-5-3-1-2-4-6(5)9-8(7)11;1-3-7-6-2-4-8-5(1)6/h2*1-4H,(H,9,10,11);1-4H
InChIKeyGKABLARXKMQOTJ-UHFFFAOYSA-N
XLogP4.61
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene?
The IUPAC name of bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene (CID 158279333) is bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene.
What is the SMILES notation for bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene?
The canonical SMILES for bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene is O=C1Nc2ccccc2C1=O.O=C1Nc2ccccc2C1=O.c1cc2sccc2s1.
What is the InChIKey of bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene?
The InChIKey is GKABLARXKMQOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H5NO2.C6H4S2/c2*10-7-5-3-1-2-4-6(5)9-8(7)11;1-3-7-6-2-4-8-5(1)6/h2*1-4H,(H,9,10,11);1-4H.
What are the key properties of bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene?
bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene has a molecular weight of 434.50 g/mol, XLogP of 4.61, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene is sourced from PubChem (CID 158279333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).