3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one

C11H10N2OS2 — CID 102330329

IUPAC3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one
SMILESO=C1C(C2CS2)NC(=S)N1c1ccccc1
InChIInChI=1S/C11H10N2OS2/c14-10-9(8-6-16-8)12-11(15)13(10)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,15)
InChIKeyOVSWFPPZLSTTDG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.39
Rot. Bonds2

About 3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one

3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one (PubChem CID 102330329) has the molecular formula C11H10N2OS2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one
PubChem CID102330329
Molecular FormulaC11H10N2OS2
Molecular Weight250.35 g/mol
Exact Mass250.02
IUPAC Name3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one
SMILESO=C1C(C2CS2)NC(=S)N1c1ccccc1
InChIInChI=1S/C11H10N2OS2/c14-10-9(8-6-16-8)12-11(15)13(10)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,15)
InChIKeyOVSWFPPZLSTTDG-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853799
(5R)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853800
5-(2-hydroxyethylsulfanylmethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 101013104
(5S)-5-ethyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7027407
3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 3034583
2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)ethylsulfanylformic acid
CID 58811297
(6R,7S)-6,7-bis(4-nitrophenyl)-3-phenyl-2-sulfanylidene-1,3-diazepan-4-one
CID 102227397
3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one
CID 88502336
(5S)-5-butyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6566015
5-heptyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3512324
(5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione
CID 92538299
4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 548819

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one?
The IUPAC name of 3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one (CID 102330329) is 3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one is O=C1C(C2CS2)NC(=S)N1c1ccccc1.
What is the InChIKey of 3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one?
The InChIKey is OVSWFPPZLSTTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS2/c14-10-9(8-6-16-8)12-11(15)13(10)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,15).
What are the key properties of 3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one?
3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one has a molecular weight of 250.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-sulfanylidene-5-(thiiran-2-yl)imidazolidin-4-one is sourced from PubChem (CID 102330329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).