3-(disulfanyl)pyrrole-2,5-dione

C4H3NO2S2 — CID 22340787

IUPAC3-(disulfanyl)pyrrole-2,5-dione
SMILESO=C1C=C(SS)C(=O)N1
InChIInChI=1S/C4H3NO2S2/c6-3-1-2(9-8)4(7)5-3/h1,8H,(H,5,6,7)
InChIKeyJXGMRZXIGPRZBC-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.10
Rot. Bonds1

About 3-(disulfanyl)pyrrole-2,5-dione

3-(disulfanyl)pyrrole-2,5-dione (PubChem CID 22340787) has the molecular formula C4H3NO2S2 and a molecular weight of 161.21 g/mol. Its IUPAC name is 3-(disulfanyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(disulfanyl)pyrrole-2,5-dione
PubChem CID22340787
Molecular FormulaC4H3NO2S2
Molecular Weight161.21 g/mol
Exact Mass160.96
IUPAC Name3-(disulfanyl)pyrrole-2,5-dione
SMILESO=C1C=C(SS)C(=O)N1
InChIInChI=1S/C4H3NO2S2/c6-3-1-2(9-8)4(7)5-3/h1,8H,(H,5,6,7)
InChIKeyJXGMRZXIGPRZBC-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Maleimide
CID 10935
Fluor maleimide
CID 66915170
Sulfhydryl-maleimide
CID 21967206
3-Methylsulfanylpyrrole-2,5-dione
CID 68150509
Dithiobis-maleimide
CID 141101998
(1-~2~H)-1H-Pyrrole-2,5-dione
CID 13000228
Silver pyrrole-2,5-dione
CID 20161669
CID 17939846
CID 17939846
Hydron;pyrrole-2,5-dione
CID 19973391
Ethene;pyrrole-2,5-dione
CID 20089621
1-Tritiopyrrole-2,5-dione
CID 59061537
1-Sulfidopyrrol-1-ium-2,5-dione
CID 66764535

Frequently Asked Questions

What is the IUPAC name of 3-(disulfanyl)pyrrole-2,5-dione?
The IUPAC name of 3-(disulfanyl)pyrrole-2,5-dione (CID 22340787) is 3-(disulfanyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(disulfanyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(disulfanyl)pyrrole-2,5-dione is O=C1C=C(SS)C(=O)N1.
What is the InChIKey of 3-(disulfanyl)pyrrole-2,5-dione?
The InChIKey is JXGMRZXIGPRZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2S2/c6-3-1-2(9-8)4(7)5-3/h1,8H,(H,5,6,7).
What are the key properties of 3-(disulfanyl)pyrrole-2,5-dione?
3-(disulfanyl)pyrrole-2,5-dione has a molecular weight of 161.21 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disulfanyl)pyrrole-2,5-dione is sourced from PubChem (CID 22340787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).