(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

C8H6N2OS2 — CID 710212

IUPAC(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1cccs1
InChIInChI=1S/C8H6N2OS2/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-4H,(H2,9,10,11,12)/b6-4+
InChIKeyBHMMWVDJRGROOU-GQCTYLIASA-N
MW210.28 g/mol
LogP1.09
Rot. Bonds1

About (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (PubChem CID 710212) has the molecular formula C8H6N2OS2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
PubChem CID710212
Molecular FormulaC8H6N2OS2
Molecular Weight210.28 g/mol
Exact Mass209.99
IUPAC Name(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1cccs1
InChIInChI=1S/C8H6N2OS2/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-4H,(H2,9,10,11,12)/b6-4+
InChIKeyBHMMWVDJRGROOU-GQCTYLIASA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (CID 710212) is (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is O=C1NC(=S)N/C1=C/c1cccs1.
What is the InChIKey of (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The InChIKey is BHMMWVDJRGROOU-GQCTYLIASA-N. The full InChI is InChI=1S/C8H6N2OS2/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-4H,(H2,9,10,11,12)/b6-4+.
What are the key properties of (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 710212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).