(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C9H8N2OS2 — CID 2173721

IUPAC(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(/C=C2\NC(=S)NC2=O)s1
InChIInChI=1S/C9H8N2OS2/c1-5-2-3-6(14-5)4-7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-4-
InChIKeyGIUQZODZUZOYMJ-DAXSKMNVSA-N
MW224.31 g/mol
LogP1.40
Rot. Bonds1

About (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 2173721) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID2173721
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(/C=C2\NC(=S)NC2=O)s1
InChIInChI=1S/C9H8N2OS2/c1-5-2-3-6(14-5)4-7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-4-
InChIKeyGIUQZODZUZOYMJ-DAXSKMNVSA-N
XLogP1.40
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 ≤ 51.40
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 (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 2173721) is (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is Cc1ccc(/C=C2\NC(=S)NC2=O)s1.
What is the InChIKey of (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GIUQZODZUZOYMJ-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-5-2-3-6(14-5)4-7-8(12)11-9(13)10-7/h2-4H,1H3,(H2,10,11,12,13)/b7-4-.
What are the key properties of (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 224.31 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2173721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).