cyclopenta[b]thiophene-4,6-dione

C7H4O2S — CID 11084061

IUPACcyclopenta[b]thiophene-4,6-dione
SMILESO=C1CC(=O)c2sccc21
InChIInChI=1S/C7H4O2S/c8-5-3-6(9)7-4(5)1-2-10-7/h1-2H,3H2
InChIKeyASZVXHKCNHBASK-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.52
Rot. Bonds

About cyclopenta[b]thiophene-4,6-dione

cyclopenta[b]thiophene-4,6-dione (PubChem CID 11084061) has the molecular formula C7H4O2S and a molecular weight of 152.17 g/mol. Its IUPAC name is cyclopenta[b]thiophene-4,6-dione.

Molecular Properties

Compound Namecyclopenta[b]thiophene-4,6-dione
PubChem CID11084061
Molecular FormulaC7H4O2S
Molecular Weight152.17 g/mol
Exact Mass151.99
IUPAC Namecyclopenta[b]thiophene-4,6-dione
SMILESO=C1CC(=O)c2sccc21
InChIInChI=1S/C7H4O2S/c8-5-3-6(9)7-4(5)1-2-10-7/h1-2H,3H2
InChIKeyASZVXHKCNHBASK-UHFFFAOYSA-N
XLogP1.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[b]thiophene-4,6-dione?
The IUPAC name of cyclopenta[b]thiophene-4,6-dione (CID 11084061) is cyclopenta[b]thiophene-4,6-dione.
What is the SMILES notation for cyclopenta[b]thiophene-4,6-dione?
The canonical SMILES for cyclopenta[b]thiophene-4,6-dione is O=C1CC(=O)c2sccc21.
What is the InChIKey of cyclopenta[b]thiophene-4,6-dione?
The InChIKey is ASZVXHKCNHBASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4O2S/c8-5-3-6(9)7-4(5)1-2-10-7/h1-2H,3H2.
What are the key properties of cyclopenta[b]thiophene-4,6-dione?
cyclopenta[b]thiophene-4,6-dione has a molecular weight of 152.17 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[b]thiophene-4,6-dione is sourced from PubChem (CID 11084061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).