2,5-dioxoimidazolidine-4,4-dicarbothialdehyde

C5H4N2O2S2 — CID 19079842

IUPAC2,5-dioxoimidazolidine-4,4-dicarbothialdehyde
SMILESO=C1NC(=O)C(C=S)(C=S)N1
InChIInChI=1S/C5H4N2O2S2/c8-3-5(1-10,2-11)7-4(9)6-3/h1-2H,(H2,6,7,8,9)
InChIKeyBQXKVTDEPXPYCW-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.44
Rot. Bonds2

About 2,5-dioxoimidazolidine-4,4-dicarbothialdehyde

2,5-dioxoimidazolidine-4,4-dicarbothialdehyde (PubChem CID 19079842) has the molecular formula C5H4N2O2S2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,5-dioxoimidazolidine-4,4-dicarbothialdehyde.

Molecular Properties

Compound Name2,5-dioxoimidazolidine-4,4-dicarbothialdehyde
PubChem CID19079842
Molecular FormulaC5H4N2O2S2
Molecular Weight188.23 g/mol
Exact Mass187.97
IUPAC Name2,5-dioxoimidazolidine-4,4-dicarbothialdehyde
SMILESO=C1NC(=O)C(C=S)(C=S)N1
InChIInChI=1S/C5H4N2O2S2/c8-3-5(1-10,2-11)7-4(9)6-3/h1-2H,(H2,6,7,8,9)
InChIKeyBQXKVTDEPXPYCW-UHFFFAOYSA-N
XLogP-0.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxoimidazolidine-4,4-dicarbothialdehyde?
The IUPAC name of 2,5-dioxoimidazolidine-4,4-dicarbothialdehyde (CID 19079842) is 2,5-dioxoimidazolidine-4,4-dicarbothialdehyde.
What is the SMILES notation for 2,5-dioxoimidazolidine-4,4-dicarbothialdehyde?
The canonical SMILES for 2,5-dioxoimidazolidine-4,4-dicarbothialdehyde is O=C1NC(=O)C(C=S)(C=S)N1.
What is the InChIKey of 2,5-dioxoimidazolidine-4,4-dicarbothialdehyde?
The InChIKey is BQXKVTDEPXPYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2S2/c8-3-5(1-10,2-11)7-4(9)6-3/h1-2H,(H2,6,7,8,9).
What are the key properties of 2,5-dioxoimidazolidine-4,4-dicarbothialdehyde?
2,5-dioxoimidazolidine-4,4-dicarbothialdehyde has a molecular weight of 188.23 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxoimidazolidine-4,4-dicarbothialdehyde is sourced from PubChem (CID 19079842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).