5,5-dihydroxycyclopenta[b]thiophene-4,6-dione

C7H4O4S — CID 10910210

IUPAC5,5-dihydroxycyclopenta[b]thiophene-4,6-dione
SMILESO=C1c2ccsc2C(=O)C1(O)O
InChIInChI=1S/C7H4O4S/c8-5-3-1-2-12-4(3)6(9)7(5,10)11/h1-2,10-11H
InChIKeyXJRHPTTYQSPHKV-UHFFFAOYSA-N
MW184.17 g/mol
LogP-0.19
Rot. Bonds

About 5,5-dihydroxycyclopenta[b]thiophene-4,6-dione

5,5-dihydroxycyclopenta[b]thiophene-4,6-dione (PubChem CID 10910210) has the molecular formula C7H4O4S and a molecular weight of 184.17 g/mol. Its IUPAC name is 5,5-dihydroxycyclopenta[b]thiophene-4,6-dione.

Molecular Properties

Compound Name5,5-dihydroxycyclopenta[b]thiophene-4,6-dione
PubChem CID10910210
Molecular FormulaC7H4O4S
Molecular Weight184.17 g/mol
Exact Mass183.98
IUPAC Name5,5-dihydroxycyclopenta[b]thiophene-4,6-dione
SMILESO=C1c2ccsc2C(=O)C1(O)O
InChIInChI=1S/C7H4O4S/c8-5-3-1-2-12-4(3)6(9)7(5,10)11/h1-2,10-11H
InChIKeyXJRHPTTYQSPHKV-UHFFFAOYSA-N
XLogP-0.19
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4H-Cyclopenta(b)thiophene-4,6(5H)-dione
CID 11084061
4-Oxo-5,6-dihydro-4h-cyclopenta[b]thiophene-6-carboxylic acid
CID 11521185
5,5-Dihydroxycyclopenta[c]thiophene-4,6-dione
CID 398917
5-Hydroxy-5,6-dihydro-cyclopenta[b]thiophen-4-one
CID 59511550
(5R)-5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
CID 11147835
(5R)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one
CID 11367222
(5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one
CID 11389622
(5S)-5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
CID 11457801
5-Methylidenecyclopenta[b]thiophene-4,6-dione
CID 20739736
5-Hydroxy-5-methyl-4,5-dihydro-6H-cyclopenta[b]thiophen-6-one
CID 21578633
5-Hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
CID 45098384
2-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}-2-oxoacetic acid
CID 165611253

Frequently Asked Questions

What is the IUPAC name of 5,5-dihydroxycyclopenta[b]thiophene-4,6-dione?
The IUPAC name of 5,5-dihydroxycyclopenta[b]thiophene-4,6-dione (CID 10910210) is 5,5-dihydroxycyclopenta[b]thiophene-4,6-dione.
What is the SMILES notation for 5,5-dihydroxycyclopenta[b]thiophene-4,6-dione?
The canonical SMILES for 5,5-dihydroxycyclopenta[b]thiophene-4,6-dione is O=C1c2ccsc2C(=O)C1(O)O.
What is the InChIKey of 5,5-dihydroxycyclopenta[b]thiophene-4,6-dione?
The InChIKey is XJRHPTTYQSPHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4O4S/c8-5-3-1-2-12-4(3)6(9)7(5,10)11/h1-2,10-11H.
What are the key properties of 5,5-dihydroxycyclopenta[b]thiophene-4,6-dione?
5,5-dihydroxycyclopenta[b]thiophene-4,6-dione has a molecular weight of 184.17 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihydroxycyclopenta[b]thiophene-4,6-dione is sourced from PubChem (CID 10910210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).