1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione

C8H4N2O4S2 — CID 674717

IUPAC1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1SSN1C(=O)C=CC1=O
InChIInChI=1S/C8H4N2O4S2/c11-5-1-2-6(12)9(5)15-16-10-7(13)3-4-8(10)14/h1-4H
InChIKeySEBFKVKRAREXAK-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.05
Rot. Bonds3

About 1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione

1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione (PubChem CID 674717) has the molecular formula C8H4N2O4S2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione
PubChem CID674717
Molecular FormulaC8H4N2O4S2
Molecular Weight256.26 g/mol
Exact Mass255.96
IUPAC Name1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1SSN1C(=O)C=CC1=O
InChIInChI=1S/C8H4N2O4S2/c11-5-1-2-6(12)9(5)15-16-10-7(13)3-4-8(10)14/h1-4H
InChIKeySEBFKVKRAREXAK-UHFFFAOYSA-N
XLogP0.05
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione (CID 674717) is 1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1SSN1C(=O)C=CC1=O.
What is the InChIKey of 1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione?
The InChIKey is SEBFKVKRAREXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O4S2/c11-5-1-2-6(12)9(5)15-16-10-7(13)3-4-8(10)14/h1-4H.
What are the key properties of 1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione?
1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione has a molecular weight of 256.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dioxopyrrol-1-yl)disulfanyl]pyrrole-2,5-dione is sourced from PubChem (CID 674717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).