(5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione

C8H5NO2SSe — CID 6448138

IUPAC(5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cccs2)[Se]1
InChIInChI=1S/C8H5NO2SSe/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4+
InChIKeySCMWDWNQAZTVSO-GQCTYLIASA-N
MW258.16 g/mol
LogP1.04
Rot. Bonds1

About (5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione

(5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione (PubChem CID 6448138) has the molecular formula C8H5NO2SSe and a molecular weight of 258.16 g/mol. Its IUPAC name is (5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione
PubChem CID6448138
Molecular FormulaC8H5NO2SSe
Molecular Weight258.16 g/mol
Exact Mass258.92
IUPAC Name(5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cccs2)[Se]1
InChIInChI=1S/C8H5NO2SSe/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4+
InChIKeySCMWDWNQAZTVSO-GQCTYLIASA-N
XLogP1.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione?
The IUPAC name of (5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione (CID 6448138) is (5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cccs2)[Se]1.
What is the InChIKey of (5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione?
The InChIKey is SCMWDWNQAZTVSO-GQCTYLIASA-N. The full InChI is InChI=1S/C8H5NO2SSe/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4+.
What are the key properties of (5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione?
(5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione has a molecular weight of 258.16 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(thiophen-2-ylmethylidene)-1,3-selenazolidine-2,4-dione is sourced from PubChem (CID 6448138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).