thieno[2,3-c]pyrrole-4,6-dione

C6H3NO2S — CID 818871

IUPACthieno[2,3-c]pyrrole-4,6-dione
SMILESO=C1NC(=O)c2sccc21
InChIInChI=1S/C6H3NO2S/c8-5-3-1-2-10-4(3)6(9)7-5/h1-2H,(H,7,8,9)
InChIKeyOSEFDTSYKYIFNC-UHFFFAOYSA-N
MW153.16 g/mol
LogP0.63
Rot. Bonds

About thieno[2,3-c]pyrrole-4,6-dione

thieno[2,3-c]pyrrole-4,6-dione (PubChem CID 818871) has the molecular formula C6H3NO2S and a molecular weight of 153.16 g/mol. Its IUPAC name is thieno[2,3-c]pyrrole-4,6-dione.

Molecular Properties

Compound Namethieno[2,3-c]pyrrole-4,6-dione
PubChem CID818871
Molecular FormulaC6H3NO2S
Molecular Weight153.16 g/mol
Exact Mass152.99
IUPAC Namethieno[2,3-c]pyrrole-4,6-dione
SMILESO=C1NC(=O)c2sccc21
InChIInChI=1S/C6H3NO2S/c8-5-3-1-2-10-4(3)6(9)7-5/h1-2H,(H,7,8,9)
InChIKeyOSEFDTSYKYIFNC-UHFFFAOYSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-c]pyrrole-4,6-dione?
The IUPAC name of thieno[2,3-c]pyrrole-4,6-dione (CID 818871) is thieno[2,3-c]pyrrole-4,6-dione.
What is the SMILES notation for thieno[2,3-c]pyrrole-4,6-dione?
The canonical SMILES for thieno[2,3-c]pyrrole-4,6-dione is O=C1NC(=O)c2sccc21.
What is the InChIKey of thieno[2,3-c]pyrrole-4,6-dione?
The InChIKey is OSEFDTSYKYIFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3NO2S/c8-5-3-1-2-10-4(3)6(9)7-5/h1-2H,(H,7,8,9).
What are the key properties of thieno[2,3-c]pyrrole-4,6-dione?
thieno[2,3-c]pyrrole-4,6-dione has a molecular weight of 153.16 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-c]pyrrole-4,6-dione is sourced from PubChem (CID 818871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).