(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one

C9H8N2OS2 — CID 56950035

IUPAC(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one
SMILESC/C(=C1/NC(=S)NC1=O)c1cccs1
InChIInChI=1S/C9H8N2OS2/c1-5(6-3-2-4-14-6)7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-5-
InChIKeyMEYXDSARYAPJFE-ALCCZGGFSA-N
MW224.31 g/mol
LogP1.48
Rot. Bonds1

About (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one

(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one (PubChem CID 56950035) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one
PubChem CID56950035
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one
SMILESC/C(=C1/NC(=S)NC1=O)c1cccs1
InChIInChI=1S/C9H8N2OS2/c1-5(6-3-2-4-14-6)7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-5-
InChIKeyMEYXDSARYAPJFE-ALCCZGGFSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.48
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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Related Compounds

3-Ethyl-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2181114
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5400728
(5E)-5-[[5-(4-methylsulfanylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261709
5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469195
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
3-Cyclopropyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 1798503
5-[(5-Methyl-2-thienyl)methylene]-3-propyl-2-thioxo-4-imidazolidinone
CID 5400801
3-Isobutyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5411556
(5E)-5-[(5-phenylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 72793026
(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 9881274
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 56949899
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 56949903

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one (CID 56950035) is (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one is C/C(=C1/NC(=S)NC1=O)c1cccs1.
What is the InChIKey of (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one?
The InChIKey is MEYXDSARYAPJFE-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-5(6-3-2-4-14-6)7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-5-.
What are the key properties of (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one?
(5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one has a molecular weight of 224.31 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-sulfanylidene-5-(1-thiophen-2-ylethylidene)imidazolidin-4-one is sourced from PubChem (CID 56950035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).