(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C8H5ClN2OS2 — CID 720582

IUPAC(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccc(Cl)s1
InChIInChI=1S/C8H5ClN2OS2/c9-6-2-1-4(14-6)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)/b5-3+
InChIKeyDESAHEABCMZEPV-HWKANZROSA-N
MW244.73 g/mol
LogP1.75
Rot. Bonds1

About (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 720582) has the molecular formula C8H5ClN2OS2 and a molecular weight of 244.73 g/mol. Its IUPAC name is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID720582
Molecular FormulaC8H5ClN2OS2
Molecular Weight244.73 g/mol
Exact Mass243.95
IUPAC Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccc(Cl)s1
InChIInChI=1S/C8H5ClN2OS2/c9-6-2-1-4(14-6)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)/b5-3+
InChIKeyDESAHEABCMZEPV-HWKANZROSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.75
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

(5E)-5-[[5-(3-chlorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261658
(5E)-5-[[5-(4-chlorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261659
5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469195
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 697118
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1813162
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
CID 5896341
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 56949901
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 56949903
(5E)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 72793027
5-(2-Thenylidene)-2-thioxoimidazolidin-4-one
CID 710212
2-Sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
CID 2732245
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 697116

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 720582) is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C/c1ccc(Cl)s1.
What is the InChIKey of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is DESAHEABCMZEPV-HWKANZROSA-N. The full InChI is InChI=1S/C8H5ClN2OS2/c9-6-2-1-4(14-6)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)/b5-3+.
What are the key properties of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 244.73 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 720582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).