2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one

C7H6N2OS2 — CID 82997071

IUPAC2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
SMILESO=C1NC(=S)NC1c1ccsc1
InChIInChI=1S/C7H6N2OS2/c10-6-5(8-7(11)9-6)4-1-2-12-3-4/h1-3,5H,(H2,8,9,10,11)
InChIKeyGXZGPTOAGQJRKW-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.79
Rot. Bonds1

About 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one

2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one (PubChem CID 82997071) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
PubChem CID82997071
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC Name2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
SMILESO=C1NC(=S)NC1c1ccsc1
InChIInChI=1S/C7H6N2OS2/c10-6-5(8-7(11)9-6)4-1-2-12-3-4/h1-3,5H,(H2,8,9,10,11)
InChIKeyGXZGPTOAGQJRKW-UHFFFAOYSA-N
XLogP0.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-thiophen-3-ylpiperazin-2-one
CID 62352453
5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 105404308
5-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one
CID 82997067
5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997208
3-thiophen-3-yl-2,3-dihydroisoindol-1-one
CID 173410155
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-sulfanylideneimidazolidin-4-one
CID 82997073
(4R)-6-methyl-2-sulfanylidene-4-thiophen-3-yl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7815908
6-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-2-thione
CID 135894149
2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
CID 82376382
(2R)-2-thiophen-3-ylaziridine
CID 172991225
(7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42553733
3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione
CID 79321429

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one (CID 82997071) is 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one is O=C1NC(=S)NC1c1ccsc1.
What is the InChIKey of 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one?
The InChIKey is GXZGPTOAGQJRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c10-6-5(8-7(11)9-6)4-1-2-12-3-4/h1-3,5H,(H2,8,9,10,11).
What are the key properties of 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one?
2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one has a molecular weight of 198.27 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 82997071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).