5-acetyl-2-sulfanylideneimidazolidin-4-one

C5H6N2O2S — CID 87931135

IUPAC5-acetyl-2-sulfanylideneimidazolidin-4-one
SMILESCC(=O)C1NC(=S)NC1=O
InChIInChI=1S/C5H6N2O2S/c1-2(8)3-4(9)7-5(10)6-3/h3H,1H3,(H2,6,7,9,10)
InChIKeyVNJQOXNLRUSGMN-UHFFFAOYSA-N
MW158.18 g/mol
LogP-1.05
Rot. Bonds1

About 5-acetyl-2-sulfanylideneimidazolidin-4-one

5-acetyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 87931135) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 5-acetyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-acetyl-2-sulfanylideneimidazolidin-4-one
PubChem CID87931135
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name5-acetyl-2-sulfanylideneimidazolidin-4-one
SMILESCC(=O)C1NC(=S)NC1=O
InChIInChI=1S/C5H6N2O2S/c1-2(8)3-4(9)7-5(10)6-3/h3H,1H3,(H2,6,7,9,10)
InChIKeyVNJQOXNLRUSGMN-UHFFFAOYSA-N
XLogP-1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethane;5-methyl-2-sulfanylideneimidazolidin-4-one
CID 142805949
methyl 2-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetate
CID 130624280
N-(2,4-dimethoxyphenyl)-2-oxo-2-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 98389596
N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide
CID 21159813
3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 5374221
N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide
CID 3004331
6-methyl-2-sulfanylidene-1,3-diazinan-4-one
CID 3431792
5-prop-1-en-2-ylimidazolidine-2,4-dione
CID 152892368
5-acetyl-1,3-diazinane-2,4,6-trione
CID 598441
(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one
CID 131856782
5-cyclopentyl-2-sulfanylideneimidazolidin-4-one
CID 82997961
methyl (5R,6S)-4-oxo-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate
CID 917124

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-acetyl-2-sulfanylideneimidazolidin-4-one (CID 87931135) is 5-acetyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-acetyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-acetyl-2-sulfanylideneimidazolidin-4-one is CC(=O)C1NC(=S)NC1=O.
What is the InChIKey of 5-acetyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is VNJQOXNLRUSGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-2(8)3-4(9)7-5(10)6-3/h3H,1H3,(H2,6,7,9,10).
What are the key properties of 5-acetyl-2-sulfanylideneimidazolidin-4-one?
5-acetyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 158.18 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 87931135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).